[1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(butylamino)benzoate Openeye Name: [1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C24H31N3O6S MolecularWeight: 489.58444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H31N3O6S/c1-3-4-13-25-22-8-6-5-7-21(22)24(29)33-18(2)23(28)26-19-9-11-20(12-10-19)34(30,31)27-14-16-32-17-15-27/h5-12,18,25H,3-4,13-17H2,1-2H3,(H,26,28)