(2,4-dimethylphenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: (2,4-dimethylphenyl) 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid (2,4-dimethylphenyl) ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C18H22N2O4S/c1-13-6-7-17(14(2)10-13)24-18(21)16-11-15(12-19(16)3)25(22,23)20-8-4-5-9-20/h6-7,10-12H,4-5,8-9H2,1-3H3