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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(1-phenylpyrazol-4-yl)methyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(1-phenylpyrazol-4-yl)methyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c1-17-9-11-20(12-10-17)30(28,29)26-13-5-8-21(26)22(27)23-14-18-15-24-25(16-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,15-16,21H,5,8,13-14H2,1H3,(H,23,27)/t21-/m0/s1