[(1R)-1-cyanoethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC(C)C#N)S(=O)(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H](C)C#N)S(=O)(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4S/c1-13-8-9-16(18(21)24-14(2)11-19)10-17(13)25(22,23)20-12-15-6-4-3-5-7-15/h3-10,14,20H,12H2,1-2H3/t14-/m1/s1