methyl 6-[[(E)-2-(4-aminophenyl)ethenyl]sulfonyl-(5-methylhexyl)amino]hexanoate

Systemtic Name: methyl 6-[[(E)-2-(4-aminophenyl)ethenyl]sulfonyl-(5-methylhexyl)amino]hexanoate Openeye Name: methyl 6-[[(E)-2-(4-aminophenyl)vinyl]sulfonyl-(5-methylhexyl)amino]hexanoate CAS Name: 6-[[(E)-2-(4-aminophenyl)ethenyl]sulfonyl-(5-methylhexyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(E)-2-(4-aminophenyl)ethenyl]sulfonyl-(5-methylhexyl)amino]hexanoate Traditional Name: 6-[[(E)-2-(4-aminophenyl)vinyl]sulfonyl-(5-methylhexyl)amino]hexanoic acid methyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCN(CCCCCC(=O)OC)S(=O)(=O)C=CC1=CC=C(C=C1)N

Isomeric SMILES

CC(C)CCCCN(CCCCCC(=O)OC)S(=O)(=O)/C=C/C1=CC=C(C=C1)N

InChI

InChI=1S/C22H36N2O4S/c1-19(2)9-6-8-17-24(16-7-4-5-10-22(25)28-3)29(26,27)18-15-20-11-13-21(23)14-12-20/h11-15,18-19H,4-10,16-17,23H2,1-3H3/b18-15+