ethyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate

Systemtic Name: ethyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: ethyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]benzoate CAS Name: 3-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 3-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid ethyl ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H23N3O5S/c1-3-27-19(24)14-7-6-8-15(11-14)20-18(23)17-12-16(13-21(17)2)28(25,26)22-9-4-5-10-22/h6-8,11-13H,3-5,9-10H2,1-2H3,(H,20,23)