methyl 2-[4-[1-[4-(2-methylpropyl)phenyl]ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[1-[4-(2-methylpropyl)phenyl]ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[1-(4-isobutylphenyl)ethylcarbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[[1-[4-(2-methylpropyl)phenyl]ethylamino]-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[1-[4-(2-methylpropyl)phenyl]ethylcarbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[1-(4-isobutylphenyl)ethylcarbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c1-18(2)17-20-9-11-21(12-10-20)19(3)27-25(29)22-13-15-28(16-14-22)34(31,32)24-8-6-5-7-23(24)26(30)33-4/h5-12,18-19,22H,13-17H2,1-4H3,(H,27,29)