N-(2-dimethylaminoethyl)-3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzenesulfonamide IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(4-benzylpiperazino)ethylamino]-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Formula: C23H34N6O4S MolecularWeight: 490.61886

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCN2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H34N6O4S/c1-26(2)12-11-25-34(32,33)21-8-9-22(23(18-21)29(30)31)24-10-13-27-14-16-28(17-15-27)19-20-6-4-3-5-7-20/h3-9,18,24-25H,10-17,19H2,1-2H3