[(1S)-1-(4-methylphenyl)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [(1S)-1-(4-methylphenyl)ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-1-(p-tolyl)ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [(1S)-1-(4-methylphenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-methylphenyl)ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [(1S)-1-(p-tolyl)ethyl] ester Formula: C20H22ClNO4S MolecularWeight: 407.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H22ClNO4S/c1-14-5-7-16(8-6-14)15(2)26-20(23)17-9-10-18(21)19(13-17)27(24,25)22-11-3-4-12-22/h5-10,13,15H,3-4,11-12H2,1-2H3/t15-/m0/s1