ethyl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]benzoate CAS Name: 3-[[[4-(4-morpholinylsulfonyl)-1H-pyrrol-2-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carbonyl)amino]benzoate Traditional Name: 3-[(4-morpholinosulfonyl-1H-pyrrole-2-carbonyl)amino]benzoic acid ethyl ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2)S(=O)(=O)N3CCOCC3

InChI

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