methyl 2-[4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[[(1R)-1-(4-ethylphenyl)-2-methyl-propyl]carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H](C(C)C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H34N2O5S/c1-5-19-10-12-20(13-11-19)24(18(2)3)27-25(29)21-14-16-28(17-15-21)34(31,32)23-9-7-6-8-22(23)26(30)33-4/h6-13,18,21,24H,5,14-17H2,1-4H3,(H,27,29)/t24-/m1/s1