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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(3-oxidanylpropyl)piperidin-1-yl]benzamide Openeye Name: 4-[4-(3-hydroxypropyl)-1-piperidyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(3-hydroxypropyl)-1-piperidinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(3-hydroxypropyl)piperidin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(3-hydroxypropyl)piperidino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C29H34N4O6S2 MolecularWeight: 598.73346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CCCO)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H34N4O6S2/c34-19-4-5-22-14-17-32(18-15-22)24-10-8-23(9-11-24)29(35)31-41(38,39)26-12-13-27(28(21-26)33(36)37)30-16-20-40-25-6-2-1-3-7-25/h1-3,6-13,21-22,30,34H,4-5,14-20H2,(H,31,35)