4-(4-ethanoylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-(4-methylcyclohexyl)-3-nitrobenzenesulfonamide Traditional Name: 4-(4-acetylpiperazino)-N-(4-methylcyclohexyl)-3-nitro-benzenesulfonamide Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5S/c1-14-3-5-16(6-4-14)20-29(27,28)17-7-8-18(19(13-17)23(25)26)22-11-9-21(10-12-22)15(2)24/h7-8,13-14,16,20H,3-6,9-12H2,1-2H3