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

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(3-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[4-(3-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=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CSC=C3)[N+](=O)[O-]

InChI

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