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

Systemtic Name: (3-cyanophenyl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (3-cyanobenzyl) ester Formula: C18H19N3O4S MolecularWeight: 373.42616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19N3O4S/c1-20-12-16(26(23,24)21-7-2-3-8-21)10-17(20)18(22)25-13-15-6-4-5-14(9-15)11-19/h4-6,9-10,12H,2-3,7-8,13H2,1H3