2-[4-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(3,5-dimethyl-1-piperazinyl)sulfonyl]-2-methylphenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(3,5-dimethylpiperazin-1-yl)sulfonyl-2-methylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(3,5-dimethylpiperazino)sulfonyl-2-methyl-phenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

Isomeric SMILES

CC1CN(CC(N1)C)S(=O)(=O)C2=CC(=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O)C

InChI

InChI=1S/C27H37N3O4S/c1-19-16-24(35(33,34)30-17-20(2)28-21(3)18-30)11-13-25(19)26(27(31)32)12-8-22-6-9-23(10-7-22)29-14-4-5-15-29/h6-7,9-11,13,16,20-21,26,28H,4-5,8,12,14-15,17-18H2,1-3H3,(H,31,32)