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

Systemtic Name: ethyl 4-[(1-methyl-4-morpholin-4-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 4-[[[1-methyl-4-(4-morpholinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-methyl-4-morpholin-4-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 4-[(1-methyl-4-morpholinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid ethyl ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H23N3O6S/c1-3-28-19(24)14-4-6-15(7-5-14)20-18(23)17-12-16(13-21(17)2)29(25,26)22-8-10-27-11-9-22/h4-7,12-13H,3,8-11H2,1-2H3,(H,20,23)