4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)hexanoic acid

Systemtic Name: 4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)hexanoic acid Openeye Name: 2-benzyl-4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonyl-hexanoic acid CAS Name: 4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonyl-2-(phenylmethyl)hexanoic acid IUPAC Name: 2-benzyl-4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonylhexanoic acid Traditional Name: 2-benzyl-4-(2-diethylaminoethyloxy)-2-(4-methoxyphenyl)sulfonyl-hexanoic acid Formula: C26H37NO6S MolecularWeight: 491.64008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)OCCN(CC)CC

Isomeric SMILES

CCC(CC(CC1=CC=CC=C1)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC)OCCN(CC)CC

InChI

InChI=1S/C26H37NO6S/c1-5-22(33-18-17-27(6-2)7-3)20-26(25(28)29,19-21-11-9-8-10-12-21)34(30,31)24-15-13-23(32-4)14-16-24/h8-16,22H,5-7,17-20H2,1-4H3,(H,28,29)