2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoic acid

Systemtic Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoic acid Openeye Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]benzoic acid CAS Name: 2-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoic acid Traditional Name: 2-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC=C2C(=O)O)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H19N3O5S/c1-19-11-12(26(24,25)20-8-4-5-9-20)10-15(19)16(21)18-14-7-3-2-6-13(14)17(22)23/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H,18,21)(H,22,23)