ethyl 4-[4-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2,6-dimethylphenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2,6-dimethylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2,6-dimethylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2,6-dimethylphenyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C)C

InChI

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