2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(4-benzylpiperazino)sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C31H37N3O4S MolecularWeight: 547.70818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H37N3O4S/c35-31(36)30(17-10-25-8-13-28(14-9-25)33-18-4-5-19-33)27-11-15-29(16-12-27)39(37,38)34-22-20-32(21-23-34)24-26-6-2-1-3-7-26/h1-3,6-9,11-16,30H,4-5,10,17-24H2,(H,35,36)