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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-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:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H23N3O5S/c1-14-7-11-21(12-8-14)27(24,25)16-5-3-15(4-6-16)18(23)26-13-17(22)20-10-2-9-19/h3-6,14H,2,7-8,10-13H2,1H3,(H,20,22)