[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H22N2O5S/c1-3-11-19-17(21)13-25-18(22)15-7-9-16(10-8-15)26(23,24)20-12-5-4-6-14(20)2/h1,7-10,14H,4-6,11-13H2,2H3,(H,19,21)