methyl 2-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[1-(2,5-dimethylphenyl)ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[1-(2,5-dimethylphenyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H30N2O5S/c1-16-9-10-17(2)21(15-16)18(3)25-23(27)19-11-13-26(14-12-19)32(29,30)22-8-6-5-7-20(22)24(28)31-4/h5-10,15,18-19H,11-14H2,1-4H3,(H,25,27)