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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=CC=C2C#N)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H19N3O4S/c1-20-12-16(26(23,24)21-8-4-5-9-21)10-17(20)18(22)25-13-15-7-3-2-6-14(15)11-19/h2-3,6-7,10,12H,4-5,8-9,13H2,1H3