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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzamide Openeye Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(4-propylphenyl)sulfonyl-1-piperazinyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]benzamide Traditional Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(4-propylphenyl)sulfonylpiperazino]benzamide Formula: C34H37N5O7S3 MolecularWeight: 723.88188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)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/C34H37N5O7S3/c1-2-6-26-9-15-30(16-10-26)49(45,46)38-22-20-37(21-23-38)28-13-11-27(12-14-28)34(40)36-48(43,44)31-17-18-32(33(25-31)39(41)42)35-19-24-47-29-7-4-3-5-8-29/h3-5,7-18,25,35H,2,6,19-24H2,1H3,(H,36,40)