methyl 4-[1-[(2-chloranyl-5-hexadecoxycarbonyl-phenyl)amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxy-3-(methylsulfonylamino)benzoate

Systemtic Name: methyl 4-[1-[(2-chloranyl-5-hexadecoxycarbonyl-phenyl)amino]-4,4-dimethyl-1,3-bis(oxidanylidene)pentan-2-yl]oxy-3-(methylsulfonylamino)benzoate Openeye Name: methyl 4-[1-[(2-chloro-5-hexadecoxycarbonyl-phenyl)carbamoyl]-3,3-dimethyl-2-oxo-butoxy]-3-(methanesulfonamido)benzoate CAS Name: 4-[1-[2-chloro-5-[hexadecoxy(oxo)methyl]anilino]-4,4-dimethyl-1,3-dioxopentan-2-yl]oxy-3-(methanesulfonamido)benzoic acid methyl ester IUPAC Name: methyl 4-[1-(2-chloro-5-hexadecoxycarbonylanilino)-4,4-dimethyl-1,3-dioxopentan-2-yl]oxy-3-(methanesulfonamido)benzoate Traditional Name: 4-[1-[(5-cetyloxycarbonyl-2-chloro-phenyl)carbamoyl]-2-keto-3,3-dimethyl-butoxy]-3-(methanesulfonamido)benzoic acid methyl ester Formula: C39H57ClN2O9S MolecularWeight: 765.39588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=C(C=C(C=C2)C(=O)OC)NS(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)OC2=C(C=C(C=C2)C(=O)OC)NS(=O)(=O)C

InChI

InChI=1S/C39H57ClN2O9S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-50-38(46)29-21-23-30(40)31(26-29)41-36(44)34(35(43)39(2,3)4)51-33-24-22-28(37(45)49-5)27-32(33)42-52(6,47)48/h21-24,26-27,34,42H,7-20,25H2,1-6H3,(H,41,44)