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

Systemtic Name: methyl 4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[2-(p-tolyl)pyrrolidin-1-yl]sulfonylbenzoate CAS Name: 4-[[2-(4-methylphenyl)-1-pyrrolidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methylphenyl)pyrrolidin-1-yl]sulfonylbenzoate Traditional Name: 4-[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=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-14-5-7-15(8-6-14)18-4-3-13-20(18)25(22,23)17-11-9-16(10-12-17)19(21)24-2/h5-12,18H,3-4,13H2,1-2H3