(phenylmethyl) 1-(3-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-chloranyl-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: benzyl 1-(3-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylate CAS Name: 1-(3-chloro-4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-chloro-4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-(3-chloro-4-methyl-phenyl)sulfonylpyrrolidine-2-carboxylic acid benzyl ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)Cl

InChI

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