[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O8S MolecularWeight: 497.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C22H31N3O8S/c1-15(2)8-11-23-22(29)24-19(26)14-33-20(27)16-9-12-25(13-10-16)34(30,31)18-7-5-4-6-17(18)21(28)32-3/h4-7,15-16H,8-14H2,1-3H3,(H2,23,24,26,29)