4-[1-(azepan-2-yl)ethoxy]-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)octanoic acid

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)octanoic acid Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonyl-octanoic acid CAS Name: 4-[1-(2-azepanyl)ethoxy]-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)octanoic acid IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonyloctanoic acid Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonyl-caprylic acid Formula: C30H43NO6S MolecularWeight: 545.73052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)OC(C)C3CCCCCN3

Isomeric SMILES

CCCCC(CC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)OC(C)C3CCCCCN3

InChI

InChI=1S/C30H43NO6S/c1-4-5-14-26(37-23(2)28-15-10-7-11-20-31-28)22-30(29(32)33,21-24-12-8-6-9-13-24)38(34,35)27-18-16-25(36-3)17-19-27/h6,8-9,12-13,16-19,23,26,28,31H,4-5,7,10-11,14-15,20-22H2,1-3H3,(H,32,33)