(2S,5R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-5-(phenylmethyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S,5R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-5-(phenylmethyl)pyrrolidine-2-carboxamide Openeye Name: (2S,5R)-5-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]pyrrolidine-2-carboxamide CAS Name: (2S,5R)-1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)-5-(phenylmethyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S,5R)-5-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,7-diphenylheptan-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S,5R)-5-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-[4-phenyl-1-(3-phenylpropyl)butyl]pyrrolidine-2-carboxamide Formula: C39H46N2O5S MolecularWeight: 654.85794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2C(CCC2C(=O)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)CC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2[C@H](CC[C@H]2C(=O)NC(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)CC5=CC=CC=C5)OC

InChI

InChI=1S/C39H46N2O5S/c1-45-37-27-25-35(29-38(37)46-2)47(43,44)41-34(28-32-18-10-5-11-19-32)24-26-36(41)39(42)40-33(22-12-20-30-14-6-3-7-15-30)23-13-21-31-16-8-4-9-17-31/h3-11,14-19,25,27,29,33-34,36H,12-13,20-24,26,28H2,1-2H3,(H,40,42)/t34-,36+/m1/s1