(4-methylphenyl)sulfonyl 4-(4-cyano-2,6-dimethyl-phenyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile

Systemtic Name: (4-methylphenyl)sulfonyl 4-(4-cyano-2,6-dimethyl-phenyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile Openeye Name: p-tolylsulfonyl 4-(4-cyano-2,6-dimethyl-phenyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile CAS Name: 4-(4-cyano-2,6-dimethylphenyl)-2-pyrrolidinecarboxylic acid (4-methylphenyl)sulfonyl ester; 2-pyrrolidinecarbonitrile IUPAC Name: (4-methylphenyl)sulfonyl 4-(4-cyano-2,6-dimethylphenyl)pyrrolidine-2-carboxylate; pyrrolidine-2-carbonitrile Traditional Name: 4-(4-cyano-2,6-dimethyl-phenyl)pyrrolidine-2-carboxylic acid tosyl ester; pyrrolidine-2-carbonitrile Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(CN2)C3=C(C=C(C=C3C)C#N)C.C1CC(NC1)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(=O)C2CC(CN2)C3=C(C=C(C=C3C)C#N)C.C1CC(NC1)C#N

InChI

InChI=1S/C21H22N2O4S.C5H8N2/c1-13-4-6-18(7-5-13)28(25,26)27-21(24)19-10-17(12-23-19)20-14(2)8-16(11-22)9-15(20)3;6-4-5-2-1-3-7-5/h4-9,17,19,23H,10,12H2,1-3H3;5,7H,1-3H2