(3-methylphenyl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: (3-methylphenyl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: m-tolylmethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid (3-methylbenzyl) ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-14-5-4-6-15(11-14)13-25-19(22)17-12-16(7-8-18(17)20)26(23,24)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3