[(1S)-2-oxidanylidenecyclohexyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-(benzylsulfamoyl)-4-methyl-benzoate CAS Name: 4-methyl-3-[(phenylmethyl)sulfamoyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-(benzylsulfamoyl)-4-methylbenzoate Traditional Name: 3-(benzylsulfamoyl)-4-methyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2CCCCC2=O)S(=O)(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O[C@H]2CCCCC2=O)S(=O)(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-15-11-12-17(21(24)27-19-10-6-5-9-18(19)23)13-20(15)28(25,26)22-14-16-7-3-2-4-8-16/h2-4,7-8,11-13,19,22H,5-6,9-10,14H2,1H3/t19-/m0/s1