ethyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H28N2O5S/c1-4-30-23(27)19-6-5-7-20(15-19)24-22(26)18-10-12-25(13-11-18)31(28,29)21-9-8-16(2)17(3)14-21/h5-9,14-15,18H,4,10-13H2,1-3H3,(H,24,26)