[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-[[(2S)-2-methyl-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-1-piperidinyl]sulfonyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[(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=C(C=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5S/c1-14-5-2-3-12-21(14)27(24,25)16-8-6-15(7-9-16)18(23)26-13-17(22)20-11-4-10-19/h6-9,14H,2-5,11-13H2,1H3,(H,20,22)/t14-/m0/s1