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

Systemtic Name: N-[[4-(cyclopropylcarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-[[4-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: N-[4-(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=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O4S/c1-16-4-12-20(13-5-16)31(29,30)26-14-2-3-21(26)23(28)24-15-17-6-10-19(11-7-17)25-22(27)18-8-9-18/h4-7,10-13,18,21H,2-3,8-9,14-15H2,1H3,(H,24,28)(H,25,27)