[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O6S MolecularWeight: 438.5377

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3CC3)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC(C)C(=O)NC3CC3)OC)C

InChI

InChI=1S/C21H30N2O6S/c1-13-9-14(2)12-23(11-13)30(26,27)19-10-16(5-8-18(19)28-4)21(25)29-15(3)20(24)22-17-6-7-17/h5,8,10,13-15,17H,6-7,9,11-12H2,1-4H3,(H,22,24)