2-[4-(benzimidazol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(benzimidazol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(benzimidazol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-(1-benzimidazolylsulfonyl)-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(benzimidazol-1-ylsulfonyl)-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(benzimidazol-1-ylsulfonyl)-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2C=NC3=CC=CC=C32)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2C=NC3=CC=CC=C32)C(CCC4=CC=C(C=C4)N5CCCC5)C(=O)O

InChI

InChI=1S/C28H29N3O4S/c1-20-18-23(36(34,35)31-19-29-26-6-2-3-7-27(26)31)13-15-24(20)25(28(32)33)14-10-21-8-11-22(12-9-21)30-16-4-5-17-30/h2-3,6-9,11-13,15,18-19,25H,4-5,10,14,16-17H2,1H3,(H,32,33)