[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 4-chloro-3-[(3-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-chloro-3-[(3-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H31ClN2O5S MolecularWeight: 471.00994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3CCCCC3)Cl

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C22H31ClN2O5S/c1-15-7-6-12-25(14-15)31(28,29)20-13-17(10-11-19(20)23)22(27)30-16(2)21(26)24-18-8-4-3-5-9-18/h10-11,13,15-16,18H,3-9,12,14H2,1-2H3,(H,24,26)