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

Systemtic Name: (2-methylphenyl)methyl 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: o-tolylmethyl 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-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=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl

Isomeric SMILES

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

InChI

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