[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-(2-methylpiperidino)sulfonylbenzoic acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NC3=C(C=CC(=C3)C)C

InChI

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