[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-keto-2-(3-phenylpropylamino)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)OCC(=O)NCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H32N2O5S/c1-19-14-20(2)17-27(16-19)33(30,31)23-12-6-11-22(15-23)25(29)32-18-24(28)26-13-7-10-21-8-4-3-5-9-21/h3-6,8-9,11-12,15,19-20H,7,10,13-14,16-18H2,1-2H3,(H,26,28)