(4-methylphenyl)sulfonyl 4-(phenoxymethyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile

Systemtic Name: (4-methylphenyl)sulfonyl 4-(phenoxymethyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile Openeye Name: p-tolylsulfonyl 4-(phenoxymethyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile CAS Name: 4-(phenoxymethyl)-2-pyrrolidinecarboxylic acid (4-methylphenyl)sulfonyl ester; 2-pyrrolidinecarbonitrile IUPAC Name: (4-methylphenyl)sulfonyl 4-(phenoxymethyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile Traditional Name: 4-(phenoxymethyl)pyrrolidine-2-carboxylic acid tosyl ester; pyrrolidine-2-carbonitrile Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(CN2)COC3=CC=CC=C3.C1CC(NC1)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(CN2)COC3=CC=CC=C3.C1CC(NC1)C#N

InChI

InChI=1S/C19H21NO5S.C5H8N2/c1-14-7-9-17(10-8-14)26(22,23)25-19(21)18-11-15(12-20-18)13-24-16-5-3-2-4-6-16;6-4-5-2-1-3-7-5/h2-10,15,18,20H,11-13H2,1H3;5,7H,1-3H2