N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 4-(4-benzyl-4-hydroxy-1-piperidyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-(4-benzyl-4-hydroxypiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-benzyl-4-hydroxy-piperidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H34N4O6S2 MolecularWeight: 646.77626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H34N4O6S2/c38-32(26-11-13-27(14-12-26)36-20-17-33(39,18-21-36)24-25-7-3-1-4-8-25)35-45(42,43)29-15-16-30(31(23-29)37(40)41)34-19-22-44-28-9-5-2-6-10-28/h1-16,23,34,39H,17-22,24H2,(H,35,38)