[1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(phenethylamino)ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(phenethylamino)propan-2-yl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N2O5S/c1-18-14-19(2)17-27(16-18)33(30,31)23-11-7-10-22(15-23)25(29)32-20(3)24(28)26-13-12-21-8-5-4-6-9-21/h4-11,15,18-20H,12-14,16-17H2,1-3H3,(H,26,28)