2-[dibenzofuran-2-ylsulfonyl-(phenylmethyl)amino]-5-(4-ethylphenyl)pentanoic acid

Systemtic Name: 2-[dibenzofuran-2-ylsulfonyl-(phenylmethyl)amino]-5-(4-ethylphenyl)pentanoic acid Openeye Name: 2-[benzyl(dibenzofuran-2-ylsulfonyl)amino]-5-(4-ethylphenyl)pentanoic acid CAS Name: 2-[2-dibenzofuranylsulfonyl-(phenylmethyl)amino]-5-(4-ethylphenyl)pentanoic acid IUPAC Name: 2-[benzyl(dibenzofuran-2-ylsulfonyl)amino]-5-(4-ethylphenyl)pentanoic acid Traditional Name: 2-[benzyl(dibenzofuran-2-ylsulfonyl)amino]-5-(4-ethylphenyl)valeric acid Formula: C32H31NO5S MolecularWeight: 541.65724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCCC(C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

Isomeric SMILES

CCC1=CC=C(C=C1)CCCC(C(=O)O)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OC5=CC=CC=C54

InChI

InChI=1S/C32H31NO5S/c1-2-23-15-17-24(18-16-23)11-8-13-29(32(34)35)33(22-25-9-4-3-5-10-25)39(36,37)26-19-20-31-28(21-26)27-12-6-7-14-30(27)38-31/h3-7,9-10,12,14-21,29H,2,8,11,13,22H2,1H3,(H,34,35)