[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25N3O7S/c1-23-10-2-3-18(23)21(27)22-19(25)15-31-20(26)9-6-16-4-7-17(8-5-16)32(28,29)24-11-13-30-14-12-24/h2-5,7-8,10H,6,9,11-15H2,1H3,(H,22,25,27)