(3-cyanophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (3-cyanophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (3-cyanophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (3-cyanophenyl) ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H17N3O4S/c1-19-12-15(25(22,23)20-7-2-3-8-20)10-16(19)17(21)24-14-6-4-5-13(9-14)11-18/h4-6,9-10,12H,2-3,7-8H2,1H3