[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]benzoic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonylbenzoic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC(CC(C2)C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CC(CC(C2)C)C

InChI

InChI=1S/C21H31N3O6S/c1-4-5-9-22-21(27)23-19(25)14-30-20(26)17-7-6-8-18(11-17)31(28,29)24-12-15(2)10-16(3)13-24/h6-8,11,15-16H,4-5,9-10,12-14H2,1-3H3,(H2,22,23,25,27)