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

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-[4-(2-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[4-(2-thenyl)piperazino]benzenesulfonamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O4S2/c1-2-26(19-7-4-3-5-8-19)33(30,31)21-10-11-22(23(17-21)27(28)29)25-14-12-24(13-15-25)18-20-9-6-16-32-20/h3-11,16-17H,2,12-15,18H2,1H3