[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 2-methyl-5-(2-methylpiperidino)sulfonyl-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C21H31N3O6S/c1-14(2)12-22-21(27)23-19(25)13-30-20(26)18-11-17(9-8-15(18)3)31(28,29)24-10-6-5-7-16(24)4/h8-9,11,14,16H,5-7,10,12-13H2,1-4H3,(H2,22,23,25,27)