[2-(ethylamino)-4-oxidanyl-phenyl] 2-[dodecanoyl(phenyl)amino]ethanesulfonate

Systemtic Name: [2-(ethylamino)-4-oxidanyl-phenyl] 2-[dodecanoyl(phenyl)amino]ethanesulfonate Openeye Name: [2-(ethylamino)-4-hydroxy-phenyl] 2-(N-dodecanoylanilino)ethanesulfonate CAS Name: 2-[N-(1-oxododecyl)anilino]ethanesulfonic acid [2-(ethylamino)-4-hydroxyphenyl] ester IUPAC Name: [2-(ethylamino)-4-hydroxyphenyl] 2-(N-dodecanoylanilino)ethanesulfonate Traditional Name: 2-(N-lauroylanilino)ethanesulfonic acid [2-(ethylamino)-4-hydroxy-phenyl] ester Formula: C28H42N2O5S MolecularWeight: 518.70848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)N(CCS(=O)(=O)OC1=C(C=C(C=C1)O)NCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)N(CCS(=O)(=O)OC1=C(C=C(C=C1)O)NCC)C2=CC=CC=C2

InChI

InChI=1S/C28H42N2O5S/c1-3-5-6-7-8-9-10-11-15-18-28(32)30(24-16-13-12-14-17-24)21-22-36(33,34)35-27-20-19-25(31)23-26(27)29-4-2/h12-14,16-17,19-20,23,29,31H,3-11,15,18,21-22H2,1-2H3