2-[(4-methylcyclohexyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(4-methylcyclohexyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[(4-methylcyclohexyl)amino]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-methylcyclohexyl)amino]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[(4-methylcyclohexyl)amino]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[(4-methylcyclohexyl)amino]-1-(4-tosylpiperazino)ethanone Formula: C20H31N3O3S MolecularWeight: 393.54344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC(CC1)NCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H31N3O3S/c1-16-3-7-18(8-4-16)21-15-20(24)22-11-13-23(14-12-22)27(25,26)19-9-5-17(2)6-10-19/h5-6,9-10,16,18,21H,3-4,7-8,11-15H2,1-2H3