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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-(isopropylcarbamoylamino)benzyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C23H30N4O4S MolecularWeight: 458.5737

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4S/c1-16(2)25-23(29)26-19-10-8-18(9-11-19)15-24-22(28)21-5-4-14-27(21)32(30,31)20-12-6-17(3)7-13-20/h6-13,16,21H,4-5,14-15H2,1-3H3,(H,24,28)(H2,25,26,29)/t21-/m0/s1