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

Systemtic Name: [1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 4-chloranyl-3-(3-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(isopropylamino)-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-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-chloro-3-(3-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-chloro-3-(3-methylpiperidino)sulfonyl-benzoic acid [2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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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)NC(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S/c1-12(2)21-18(23)14(4)27-19(24)15-7-8-16(20)17(10-15)28(25,26)22-9-5-6-13(3)11-22/h7-8,10,12-14H,5-6,9,11H2,1-4H3,(H,21,23)