[1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(propylamino)propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(propylamino)ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(propylamino)propan-2-yl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

Isomeric SMILES

CCCNC(=O)C(C)OC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C

InChI

InChI=1S/C19H28N2O5S/c1-4-12-20-18(22)15(3)26-19(23)16-8-10-17(11-9-16)27(24,25)21-13-6-5-7-14(21)2/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,20,22)