methyl 4-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 4-[[[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 4-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)C(=O)OC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H21N3O6S/c1-20-12-15(28(24,25)21-7-9-27-10-8-21)11-16(20)17(22)19-14-5-3-13(4-6-14)18(23)26-2/h3-6,11-12H,7-10H2,1-2H3,(H,19,22)