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

Systemtic Name: N-ethyl-3-nitro-N-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-ethyl-3-nitro-N-phenyl-4-[4-(3-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-ethyl-3-nitro-N-phenyl-4-[4-(3-thiophenylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-ethyl-3-nitro-N-phenyl-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-ethyl-3-nitro-N-phenyl-4-[4-(3-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=CSC=C4)[N+](=O)[O-]

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CSC=C4)[N+](=O)[O-]

InChI

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