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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(phenylmethyl)piperazin-1-yl]benzamide Openeye Name: 4-(4-benzylpiperazin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(phenylmethyl)-1-piperazinyl]benzamide IUPAC Name: 4-(4-benzylpiperazin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-benzylpiperazino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H33N5O5S2 MolecularWeight: 631.76492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=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(CCN1CC2=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/C32H33N5O5S2/c38-32(26-11-13-27(14-12-26)36-20-18-35(19-21-36)24-25-7-3-1-4-8-25)34-44(41,42)29-15-16-30(31(23-29)37(39)40)33-17-22-43-28-9-5-2-6-10-28/h1-16,23,33H,17-22,24H2,(H,34,38)