N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(4-methylcyclohexyl)-2-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]acetamide Formula: C20H30N4O5S MolecularWeight: 438.541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CCC(CC1)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H30N4O5S/c1-15-3-6-17(7-4-15)21-20(25)14-22-9-11-23(12-10-22)30(28,29)19-13-18(24(26)27)8-5-16(19)2/h5,8,13,15,17H,3-4,6-7,9-12,14H2,1-2H3,(H,21,25)