[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(=O)NC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NC(=O)NC3CC3

InChI

InChI=1S/C20H27N3O6S/c1-13-3-7-17(8-4-13)30(27,28)23-11-9-15(10-12-23)19(25)29-14(2)18(24)22-20(26)21-16-5-6-16/h3-4,7-8,14-16H,5-6,9-12H2,1-2H3,(H2,21,22,24,26)