(2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-(2-methylpropanoylamino)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(isobutyrylamino)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC=C(C=C3)NC(=O)C(C)C

InChI

InChI=1S/C22H27N3O4S/c1-15(2)21(26)23-17-8-10-18(11-9-17)24-22(27)20-5-4-14-25(20)30(28,29)19-12-6-16(3)7-13-19/h6-13,15,20H,4-5,14H2,1-3H3,(H,23,26)(H,24,27)/t20-/m0/s1