[(1S)-2-oxidanylidenecyclohexyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-[methyl-(4-methylphenyl)sulfonyl-amino]benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-[methyl(p-tolylsulfonyl)amino]benzoate CAS Name: 4-[methyl-(4-methylphenyl)sulfonylamino]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-[methyl-(4-methylphenyl)sulfonylamino]benzoate Traditional Name: 4-[methyl(tosyl)amino]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)OC3CCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)C(=O)O[C@H]3CCCCC3=O

InChI

InChI=1S/C21H23NO5S/c1-15-7-13-18(14-8-15)28(25,26)22(2)17-11-9-16(10-12-17)21(24)27-20-6-4-3-5-19(20)23/h7-14,20H,3-6H2,1-2H3/t20-/m0/s1