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

Systemtic Name: methyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]benzoate Traditional Name: 3-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]benzoic acid methyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21N3O5S/c1-20-12-15(27(24,25)21-8-3-4-9-21)11-16(20)17(22)19-14-7-5-6-13(10-14)18(23)26-2/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,19,22)