[1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-16-10-11-17(2)21(14-16)24-22(26)18(3)30-23(27)19-8-7-9-20(15-19)31(28,29)25-12-5-4-6-13-25/h7-11,14-15,18H,4-6,12-13H2,1-3H3,(H,24,26)