(2R)-N-(3-benzamidopropyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(3-benzamidopropyl)-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(3-benzamidopropyl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2R)-N-(3-benzamidopropyl)-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(3-benzamidopropyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2R)-N-(3-benzamidopropyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H]2C(=O)NCCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4S/c1-17-10-12-19(13-11-17)30(28,29)25-16-5-9-20(25)22(27)24-15-6-14-23-21(26)18-7-3-2-4-8-18/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3,(H,23,26)(H,24,27)/t20-/m1/s1