(2S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(4-benzyloxyphenyl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-N-(4-phenylmethoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]-N-(4-phenylmethoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-benzoxyphenyl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C31H35N3O5S MolecularWeight: 561.6917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3O5S/c1-23-9-15-28(16-10-23)40(37,38)33-20-17-25(18-21-33)31(36)34-19-5-8-29(34)30(35)32-26-11-13-27(14-12-26)39-22-24-6-3-2-4-7-24/h2-4,6-7,9-16,25,29H,5,8,17-22H2,1H3,(H,32,35)/t29-/m0/s1