4-[2-methoxy-4-(3-oxidanylpropyl)phenyl]-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide

Systemtic Name: 4-[2-methoxy-4-(3-oxidanylpropyl)phenyl]-N-[3-nitro-4-[(1-oxidanyl-3-phenylsulfanyl-propan-2-yl)amino]phenyl]sulfonyl-benzamide Openeye Name: N-[4-[[1-(hydroxymethyl)-2-phenylsulfanyl-ethyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]benzamide CAS Name: N-[4-[[1-hydroxy-3-(phenylthio)propan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxyphenyl]benzamide IUPAC Name: N-[4-[(1-hydroxy-3-phenylsulfanylpropan-2-yl)amino]-3-nitrophenyl]sulfonyl-4-[4-(3-hydroxypropyl)-2-methoxyphenyl]benzamide Traditional Name: 4-[4-(3-hydroxypropyl)-2-methoxy-phenyl]-N-[4-[[1-methylol-2-(phenylthio)ethyl]amino]-3-nitro-phenyl]sulfonyl-benzamide Formula: C32H33N3O8S2 MolecularWeight: 651.74972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CO)CSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NC(CO)CSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C32H33N3O8S2/c1-43-31-18-22(6-5-17-36)9-15-28(31)23-10-12-24(13-11-23)32(38)34-45(41,42)27-14-16-29(30(19-27)35(39)40)33-25(20-37)21-44-26-7-3-2-4-8-26/h2-4,7-16,18-19,25,33,36-37H,5-6,17,20-21H2,1H3,(H,34,38)