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

Systemtic Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(2-phenylmethoxyethanoyl)piperazin-1-yl]benzamide Openeye Name: 4-[4-(2-benzyloxyacetyl)piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-benzamide CAS Name: N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-4-[4-(1-oxo-2-phenylmethoxyethyl)-1-piperazinyl]benzamide IUPAC Name: N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonyl-4-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]benzamide Traditional Name: 4-[4-(2-benzoxyacetyl)piperazino]-N-[3-nitro-4-[2-(phenylthio)ethylamino]phenyl]sulfonyl-benzamide Formula: C34H35N5O7S2 MolecularWeight: 689.801

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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-])C(=O)COCC5=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-])C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C34H35N5O7S2/c40-33(25-46-24-26-7-3-1-4-8-26)38-20-18-37(19-21-38)28-13-11-27(12-14-28)34(41)36-48(44,45)30-15-16-31(32(23-30)39(42)43)35-17-22-47-29-9-5-2-6-10-29/h1-16,23,35H,17-22,24-25H2,(H,36,41)