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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]-4-methyl-benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3CCCCC3=O)C

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O[C@H]3CCCCC3=O)C

InChI

InChI=1S/C22H25NO5S/c1-3-23(18-9-5-4-6-10-18)29(26,27)21-15-17(14-13-16(21)2)22(25)28-20-12-8-7-11-19(20)24/h4-6,9-10,13-15,20H,3,7-8,11-12H2,1-2H3/t20-/m0/s1