(2S)-N-[(4-aminocarbonylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-aminocarbonylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamoylphenyl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamoylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamoylphenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-carbamoylbenzyl)-1-tosyl-pyrrolidine-2-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C20H23N3O4S/c1-14-4-10-17(11-5-14)28(26,27)23-12-2-3-18(23)20(25)22-13-15-6-8-16(9-7-15)19(21)24/h4-11,18H,2-3,12-13H2,1H3,(H2,21,24)(H,22,25)/t18-/m0/s1