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

Systemtic Name: 4-[2-methoxy-4-(3-piperazin-1-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide Openeye Name: 4-[2-methoxy-4-(3-piperazin-1-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: 4-[2-methoxy-4-[3-(1-piperazinyl)propyl]phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonylbenzamide IUPAC Name: 4-[2-methoxy-4-(3-piperazin-1-ylpropyl)phenyl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylbenzamide Traditional Name: 4-[2-methoxy-4-(3-piperazinopropyl)phenyl]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C35H39N5O6S2 MolecularWeight: 689.84406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCCN2CCNCC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NCCSC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)CCCN2CCNCC2)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/C35H39N5O6S2/c1-46-34-24-26(6-5-20-39-21-17-36-18-22-39)9-15-31(34)27-10-12-28(13-11-27)35(41)38-48(44,45)30-14-16-32(33(25-30)40(42)43)37-19-23-47-29-7-3-2-4-8-29/h2-4,7-16,24-25,36-37H,5-6,17-23H2,1H3,(H,38,41)