N,N-diethyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[2-[4-(m-tolyl)piperazin-1-yl]ethylamino]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[2-[4-(3-methylphenyl)-1-piperazinyl]ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[2-[4-(3-methylphenyl)piperazin-1-yl]ethylamino]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[2-[4-(m-tolyl)piperazino]ethylamino]-3-nitro-benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)C3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H33N5O4S/c1-4-27(5-2)33(31,32)21-9-10-22(23(18-21)28(29)30)24-11-12-25-13-15-26(16-14-25)20-8-6-7-19(3)17-20/h6-10,17-18,24H,4-5,11-16H2,1-3H3