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

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[2-(2-methylpropanoylamino)ethyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[2-(isobutyrylamino)ethyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCNC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C(C)C

InChI

InChI=1S/C18H27N3O4S/c1-13(2)17(22)19-10-11-20-18(23)16-5-4-12-21(16)26(24,25)15-8-6-14(3)7-9-15/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,19,22)(H,20,23)/t16-/m0/s1