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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 4-(4-benzyl-1-piperidyl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 4-(4-benzylpiperidin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-benzylpiperidino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C33H34N4O5S2 MolecularWeight: 630.77686

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)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(CCC1CC2=CC=CC=C2)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/C33H34N4O5S2/c38-33(27-11-13-28(14-12-27)36-20-17-26(18-21-36)23-25-7-3-1-4-8-25)35-44(41,42)30-15-16-31(32(24-30)37(39)40)34-19-22-43-29-9-5-2-6-10-29/h1-16,24,26,34H,17-23H2,(H,35,38)