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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]benzamide Openeye Name: 4-(4-benzylsulfonylpiperazin-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)sulfonyl-1-piperazinyl]benzamide IUPAC Name: 4-(4-benzylsulfonylpiperazin-1-yl)-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-benzylsulfonylpiperazino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C32H33N5O7S3 MolecularWeight: 695.82872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC(=C(C=C3)NCCSC4=CC=CC=C4)[N+](=O)[O-])S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C32H33N5O7S3/c38-32(26-11-13-27(14-12-26)35-18-20-36(21-19-35)46(41,42)24-25-7-3-1-4-8-25)34-47(43,44)29-15-16-30(31(23-29)37(39)40)33-17-22-45-28-9-5-2-6-10-28/h1-16,23,33H,17-22,24H2,(H,34,38)