[(1S)-1-(4-fluorophenyl)ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate

Systemtic Name: [(1S)-1-(4-fluorophenyl)ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate Openeye Name: [(1S)-1-(4-fluorophenyl)ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxylic acid [(1S)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-fluorophenyl)ethyl] 1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxylic acid [(1S)-1-(4-fluorophenyl)ethyl] ester Formula: C18H21FN2O4S MolecularWeight: 380.433743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)OC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H21FN2O4S/c1-13(14-5-7-15(19)8-6-14)25-18(22)17-11-16(12-20(17)2)26(23,24)21-9-3-4-10-21/h5-8,11-13H,3-4,9-10H2,1-2H3/t13-/m0/s1