[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-morpholinosulfonylbenzoate CAS Name: 3-(4-morpholinylsulfonyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-morpholin-4-ylsulfonylbenzoate Traditional Name: 3-morpholinosulfonylbenzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H27N3O7S MolecularWeight: 441.49858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C19H27N3O7S/c1-14(2)6-7-20-19(25)21-17(23)13-29-18(24)15-4-3-5-16(12-15)30(26,27)22-8-10-28-11-9-22/h3-5,12,14H,6-11,13H2,1-2H3,(H2,20,21,23,25)