[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC(C3)C)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CC(CC(C3)C)C

InChI

InChI=1S/C26H34N2O5S/c1-5-20-9-7-10-21(6-2)25(20)27-24(29)17-33-26(30)22-11-8-12-23(14-22)34(31,32)28-15-18(3)13-19(4)16-28/h7-12,14,18-19H,5-6,13,15-17H2,1-4H3,(H,27,29)