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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 3-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 3-[(2S)-2-methylpiperidino]sulfonylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-14-6-2-3-11-21(14)27(24,25)16-8-4-7-15(12-16)18(23)26-13-17(22)20-10-5-9-19/h4,7-8,12,14H,2-3,5-6,10-11,13H2,1H3,(H,20,22)/t14-/m0/s1