4-[4-[1-(azetidin-3-yl)-3-oxidanylidene-propyl]-2-methoxy-phenyl]-N-[4-[[4-(dimethylamino)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide

Systemtic Name: 4-[4-[1-(azetidin-3-yl)-3-oxidanylidene-propyl]-2-methoxy-phenyl]-N-[4-[[4-(dimethylamino)-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-benzamide Openeye Name: 4-[4-[1-(azetidin-3-yl)-3-oxo-propyl]-2-methoxy-phenyl]-N-[4-[[3-(dimethylamino)-3-oxo-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide CAS Name: 4-[4-[1-(3-azetidinyl)-3-oxopropyl]-2-methoxyphenyl]-N-[4-[[4-(dimethylamino)-4-oxo-1-(phenylthio)butan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide IUPAC Name: 4-[4-[1-(azetidin-3-yl)-3-oxopropyl]-2-methoxyphenyl]-N-[4-[[4-(dimethylamino)-4-oxo-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonylbenzamide Traditional Name: 4-[4-[1-(azetidin-3-yl)-3-keto-propyl]-2-methoxy-phenyl]-N-[4-[[3-(dimethylamino)-3-keto-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C38H41N5O8S2 MolecularWeight: 759.89084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)C(CC=O)C5CNC5)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)CC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)C4=C(C=C(C=C4)C(CC=O)C5CNC5)OC)[N+](=O)[O-]

InChI

InChI=1S/C38H41N5O8S2/c1-42(2)37(45)20-29(24-52-30-7-5-4-6-8-30)40-34-16-14-31(21-35(34)43(47)48)53(49,50)41-38(46)26-11-9-25(10-12-26)33-15-13-27(19-36(33)51-3)32(17-18-44)28-22-39-23-28/h4-16,18-19,21,28-29,32,39-40H,17,20,22-24H2,1-3H3,(H,41,46)