[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H29N3O7S MolecularWeight: 455.52516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCC(C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C20H29N3O7S/c1-14(2)6-7-21-20(26)22-18(24)13-30-19(25)16-5-4-15(3)17(12-16)31(27,28)23-8-10-29-11-9-23/h4-5,12,14H,6-11,13H2,1-3H3,(H2,21,22,24,26)