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

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(2-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(2-thenyl)piperazino]benzenesulfonamide Formula: C19H26N4O4S2 MolecularWeight: 438.56414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N4O4S2/c1-3-22(4-2)29(26,27)17-7-8-18(19(14-17)23(24)25)21-11-9-20(10-12-21)15-16-6-5-13-28-16/h5-8,13-14H,3-4,9-12,15H2,1-2H3