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

Systemtic Name: (2S)-N-[3-(cyclopropylcarbonylamino)phenyl]-1-(4-methylphenyl)sulfonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(cyclopropanecarbonylamino)phenyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[3-[[cyclopropyl(oxo)methyl]amino]phenyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(cyclopropanecarbonylamino)phenyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=CC=CC(=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=CC=CC(=C3)NC(=O)C4CC4

InChI

InChI=1S/C22H25N3O4S/c1-15-7-11-19(12-8-15)30(28,29)25-13-3-6-20(25)22(27)24-18-5-2-4-17(14-18)23-21(26)16-9-10-16/h2,4-5,7-8,11-12,14,16,20H,3,6,9-10,13H2,1H3,(H,23,26)(H,24,27)/t20-/m0/s1