ethyl 4-[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[4-[(2-ethyl-6-methylanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-ethyl-6-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OCC)C

InChI

InChI=1S/C24H30N2O5S/c1-4-18-8-6-7-17(3)22(18)25-23(27)19-13-15-26(16-14-19)32(29,30)21-11-9-20(10-12-21)24(28)31-5-2/h6-12,19H,4-5,13-16H2,1-3H3,(H,25,27)