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

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [4-(2-cyanophenyl)benzyl] ester Formula: C24H23N3O4S MolecularWeight: 449.52212

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H23N3O4S/c1-26-16-21(32(29,30)27-12-4-5-13-27)14-23(26)24(28)31-17-18-8-10-19(11-9-18)22-7-3-2-6-20(22)15-25/h2-3,6-11,14,16H,4-5,12-13,17H2,1H3