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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(phenylsulfonyl)piperazin-1-yl]benzamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-(4-besylpiperazino)-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C31H31N5O7S3 MolecularWeight: 681.80214

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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)C5=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)C5=CC=CC=C5

InChI

InChI=1S/C31H31N5O7S3/c37-31(24-11-13-25(14-12-24)34-18-20-35(21-19-34)46(42,43)27-9-5-2-6-10-27)33-45(40,41)28-15-16-29(30(23-28)36(38)39)32-17-22-44-26-7-3-1-4-8-26/h1-16,23,32H,17-22H2,(H,33,37)