sodium 5-[[4-[[2,3-bis(oxidanylidene)indol-1-yl]methoxy]-3-[[3-[1-[(2-chloranyl-4-dodecoxycarbonyl-phenyl)amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]carbamoyl]-8-(methylsulfonylamino)naphthalen-1-yl]diazenyl]-2-morpholin-4-yl-benzenesulfonate

Systemtic Name: sodium 5-[[4-[[2,3-bis(oxidanylidene)indol-1-yl]methoxy]-3-[[3-[1-[(2-chloranyl-4-dodecoxycarbonyl-phenyl)amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxyphenyl]carbamoyl]-8-(methylsulfonylamino)naphthalen-1-yl]diazenyl]-2-morpholin-4-yl-benzenesulfonate Openeye Name: sodium 5-[[3-[[3-[1-[(2-chloro-4-dodecoxycarbonyl-phenyl)carbamoyl]-3,3-dimethyl-2-oxo-butoxy]phenyl]carbamoyl]-4-[(2,3-dioxoindolin-1-yl)methoxy]-8-(methanesulfonamido)-1-naphthyl]azo]-2-morpholino-benzenesulfonate CAS Name: sodium 5-[[3-[[3-[1-[2-chloro-4-[dodecoxy(oxo)methyl]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyanilino]-oxomethyl]-4-[(2,3-dioxo-1-indolyl)methoxy]-8-(methanesulfonamido)-1-naphthalenyl]azo]-2-(4-morpholinyl)benzenesulfonate IUPAC Name: sodium 5-[[3-[[3-[1-(2-chloro-4-dodecoxycarbonylanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxyphenyl]carbamoyl]-4-[(2,3-dioxoindol-1-yl)methoxy]-8-(methanesulfonamido)naphthalen-1-yl]diazenyl]-2-morpholin-4-ylbenzenesulfonate Traditional Name: sodium 5-[[3-[[3-[1-[(2-chloro-4-lauryloxycarbonyl-phenyl)carbamoyl]-2-keto-3,3-dimethyl-butoxy]phenyl]carbamoyl]-4-[(2,3-diketoindolin-1-yl)methoxy]-8-(methanesulfonamido)-1-naphthyl]azo]-2-morpholino-besylate Formula: C63H69ClN7NaO15S2 MolecularWeight: 1286.83263

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=CC(=C2)NC(=O)C3=CC(=C4C(=C3OCN5C6=CC=CC=C6C(=O)C5=O)C=CC=C4NS(=O)(=O)C)N=NC7=CC(=C(C=C7)N8CCOCC8)S(=O)(=O)[O-])Cl.[Na+]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C(=O)C(C)(C)C)OC2=CC=CC(=C2)NC(=O)C3=CC(=C4C(=C3OCN5C6=CC=CC=C6C(=O)C5=O)C=CC=C4NS(=O)(=O)C)N=NC7=CC(=C(C=C7)N8CCOCC8)S(=O)(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C63H70ClN7O15S2.Na/c1-6-7-8-9-10-11-12-13-14-17-32-84-62(77)40-26-28-48(47(64)35-40)66-60(75)57(58(73)63(2,3)4)86-43-21-18-20-41(36-43)65-59(74)46-38-50(68-67-42-27-29-52(53(37-42)88(80,81)82)70-30-33-83-34-31-70)54-45(23-19-24-49(54)69-87(5,78)79)56(46)85-39-71-51-25-16-15-22-44(51)55(72)61(71)76;/h15-16,18-29,35-38,57,69H,6-14,17,30-34,39H2,1-5H3,(H,65,74)(H,66,75)(H,80,81,82);/q;+1/p-1