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

Systemtic Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Openeye Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(2-thienylmethyl)piperazin-1-yl]benzenesulfonamide CAS Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(thiophen-2-ylmethyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]benzenesulfonamide Traditional Name: N-(4-methylcyclohexyl)-3-nitro-4-[4-(2-thenyl)piperazino]benzenesulfonamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1CCC(CC1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H30N4O4S2/c1-17-4-6-18(7-5-17)23-32(29,30)20-8-9-21(22(15-20)26(27)28)25-12-10-24(11-13-25)16-19-3-2-14-31-19/h2-3,8-9,14-15,17-18,23H,4-7,10-13,16H2,1H3