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

Systemtic Name: 4-[1-(azepan-2-yl)ethoxy]-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)pentanoic acid Openeye Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonyl-pentanoic acid CAS Name: 4-[1-(2-azepanyl)ethoxy]-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)pentanoic acid IUPAC Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonylpentanoic acid Traditional Name: 4-[1-(azepan-2-yl)ethoxy]-2-benzyl-2-(4-methoxyphenyl)sulfonyl-valeric acid Formula: C27H37NO6S MolecularWeight: 503.65078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO6S/c1-20(34-21(2)25-12-8-5-9-17-28-25)18-27(26(29)30,19-22-10-6-4-7-11-22)35(31,32)24-15-13-23(33-3)14-16-24/h4,6-7,10-11,13-16,20-21,25,28H,5,8-9,12,17-19H2,1-3H3,(H,29,30)