[(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [(1R)-2-[2-cyanoethyl(methyl)amino]-1-methyl-2-oxo-ethyl] 4-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[2-cyanoethyl(methyl)amino]-1-oxopropan-2-yl] 4-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-methylpiperidino)sulfonylbenzoic acid [(1R)-2-[2-cyanoethyl(methyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC(C)C(=O)N(C)CCC#N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)N(C)CCC#N

InChI

InChI=1S/C20H27N3O5S/c1-15-9-13-23(14-10-15)29(26,27)18-7-5-17(6-8-18)20(25)28-16(2)19(24)22(3)12-4-11-21/h5-8,15-16H,4,9-10,12-14H2,1-3H3/t16-/m1/s1