[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methoxy-3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-methoxy-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] 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-methoxy-3-[(2S)-2-methylpiperidino]sulfonyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O6S/c1-4-10-20-18(22)13-27-19(23)15-8-9-16(26-3)17(12-15)28(24,25)21-11-6-5-7-14(21)2/h1,8-9,12,14H,5-7,10-11,13H2,2-3H3,(H,20,22)/t14-/m0/s1