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

Systemtic Name: [1-[(4-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(methylamino)benzoate Openeye Name: [1-methyl-2-(4-morpholinosulfonylanilino)-2-oxo-ethyl] 2-(methylamino)benzoate CAS Name: 2-(methylamino)benzoic acid [1-[4-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-(methylamino)benzoate Traditional Name: 2-(methylamino)benzoic acid [2-keto-1-methyl-2-(4-morpholinosulfonylanilino)ethyl] ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=CC=C3NC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=CC=C3NC

InChI

InChI=1S/C21H25N3O6S/c1-15(30-21(26)18-5-3-4-6-19(18)22-2)20(25)23-16-7-9-17(10-8-16)31(27,28)24-11-13-29-14-12-24/h3-10,15,22H,11-14H2,1-2H3,(H,23,25)