methyl 3-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[2-(p-tolyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 3-[[2-(4-methylphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 3-[2-(p-tolyl)pyrrolidino]sulfonylbenzoic acid methyl ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCN2S(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H21NO4S/c1-14-8-10-15(11-9-14)18-7-4-12-20(18)25(22,23)17-6-3-5-16(13-17)19(21)24-2/h3,5-6,8-11,13,18H,4,7,12H2,1-2H3