[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-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=CC(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

C[C@H]1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C18H22N2O5S/c1-3-10-19-17(21)13-25-18(22)15-8-6-9-16(12-15)26(23,24)20-11-5-4-7-14(20)2/h1,6,8-9,12,14H,4-5,7,10-11,13H2,2H3,(H,19,21)/t14-/m0/s1