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

Systemtic Name: 4-[4-(2-azanyl-3-phenyl-propyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[4-(2-amino-3-phenyl-propyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[4-(2-amino-3-phenylpropyl)-1-piperazinyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[4-(2-amino-3-phenylpropyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[4-(2-amino-3-phenyl-propyl)piperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H38N6O5S2 MolecularWeight: 674.83272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=CC=C2)N)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(CCN1CC(CC2=CC=CC=C2)N)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/C34H38N6O5S2/c35-28(23-26-7-3-1-4-8-26)25-38-18-20-39(21-19-38)29-13-11-27(12-14-29)34(41)37-47(44,45)31-15-16-32(33(24-31)40(42)43)36-17-22-46-30-9-5-2-6-10-30/h1-16,24,28,36H,17-23,25,35H2,(H,37,41)