(2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-oxidanylideneazepan-1-yl)propyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[3-(2-oxoazepan-1-yl)propyl]-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-oxo-1-azepanyl)propyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[3-(2-ketoazepan-1-yl)propyl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NCCCN3CCCCCC3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCCCN3CCCCCC3=O

InChI

InChI=1S/C21H31N3O4S/c1-17-9-11-18(12-10-17)29(27,28)24-16-5-7-19(24)21(26)22-13-6-15-23-14-4-2-3-8-20(23)25/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)/t19-/m0/s1