(2-methylphenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methylphenyl)methyl 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: o-tolylmethyl 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid (2-methylbenzyl) ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1COC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H20ClNO4S/c1-14-6-2-3-7-16(14)13-25-19(22)15-8-9-17(20)18(12-15)26(23,24)21-10-4-5-11-21/h2-3,6-9,12H,4-5,10-11,13H2,1H3