2-[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[2-methyl-4-[[2-(1-pyrrolidinylmethyl)-1-pyrrolidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[2-methyl-4-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-[2-(pyrrolidinomethyl)pyrrolidino]sulfonyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C30H41N3O4S MolecularWeight: 539.72924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CN3CCCC3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCCC2CN3CCCC3)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C30H41N3O4S/c1-23-21-27(38(36,37)33-20-6-7-26(33)22-31-16-2-3-17-31)13-15-28(23)29(30(34)35)14-10-24-8-11-25(12-9-24)32-18-4-5-19-32/h8-9,11-13,15,21,26,29H,2-7,10,14,16-20,22H2,1H3,(H,34,35)