(2S)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(cyclopropanecarbonylamino)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CC(=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C23H27N3O4S/c1-16-7-11-20(12-8-16)31(29,30)26-13-3-6-21(26)23(28)24-15-17-4-2-5-19(14-17)25-22(27)18-9-10-18/h2,4-5,7-8,11-12,14,18,21H,3,6,9-10,13,15H2,1H3,(H,24,28)(H,25,27)/t21-/m0/s1