N-(6-methoxycyclohexa-1,5-dien-1-yl)-5-(2-methylheptan-2-yl)-2-octoxy-benzenesulfonamide

Systemtic Name: N-(6-methoxycyclohexa-1,5-dien-1-yl)-5-(2-methylheptan-2-yl)-2-octoxy-benzenesulfonamide Openeye Name: 5-(1,1-dimethylhexyl)-N-(6-methoxycyclohexa-1,5-dien-1-yl)-2-octoxy-benzenesulfonamide CAS Name: N-(6-methoxy-1-cyclohexa-1,5-dienyl)-5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonamide IUPAC Name: N-(6-methoxycyclohexa-1,5-dien-1-yl)-5-(2-methylheptan-2-yl)-2-octoxybenzenesulfonamide Traditional Name: 5-(1,1-dimethylhexyl)-N-(6-methoxycyclohexa-1,5-dien-1-yl)-2-octoxy-benzenesulfonamide Formula: C29H47NO4S MolecularWeight: 505.75278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NC2=CCCC=C2OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CCCCC)S(=O)(=O)NC2=CCCC=C2OC

InChI

InChI=1S/C29H47NO4S/c1-6-8-10-11-12-16-22-34-27-20-19-24(29(3,4)21-15-9-7-2)23-28(27)35(31,32)30-25-17-13-14-18-26(25)33-5/h17-20,23,30H,6-16,21-22H2,1-5H3