(2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: o-tolylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid (2-methylphenyl)methyl ester IUPAC Name: (2-methylphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid (2-methylbenzyl) ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-15-6-2-3-7-17(15)14-24-19(21)16-8-10-18(11-9-16)25(22,23)20-12-4-5-13-20/h2-3,6-11H,4-5,12-14H2,1H3