[2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid [2-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C23H33N3O6S MolecularWeight: 479.58962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C23H33N3O6S/c1-17-4-8-20(9-5-17)24(3)22(28)16-32-23(29)19-6-10-21(11-7-19)33(30,31)26-14-12-25(13-15-26)18(2)27/h6-7,10-11,17,20H,4-5,8-9,12-16H2,1-3H3