N,N-diethyl-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-5-nitro-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethylamino]benzenesulfonamide Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-N,N-diethyl-5-nitro-benzenesulfonamide CAS Name: N,N-diethyl-5-nitro-2-[2-[4-(phenylmethyl)-1-piperazinyl]ethylamino]benzenesulfonamide IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)ethylamino]-N,N-diethyl-5-nitrobenzenesulfonamide Traditional Name: 2-[2-(4-benzylpiperazino)ethylamino]-N,N-diethyl-5-nitro-benzenesulfonamide Formula: C23H33N5O4S MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O4S/c1-3-27(4-2)33(31,32)23-18-21(28(29)30)10-11-22(23)24-12-13-25-14-16-26(17-15-25)19-20-8-6-5-7-9-20/h5-11,18,24H,3-4,12-17,19H2,1-2H3