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

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-11-17(2)13-19(12-16)23-21(25)15-29-22(26)18-7-6-8-20(14-18)30(27,28)24-9-4-3-5-10-24/h6-8,11-14H,3-5,9-10,15H2,1-2H3,(H,23,25)