[3-[[butan-2-yl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[butan-2-yl-(4-hexylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-[(4-hexylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-hexylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-hexylbenzoyl)-sec-butyl-amino]methyl]phenyl] ester Formula: C26H37NO4S MolecularWeight: 459.64128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)C(C)CC

InChI

InChI=1S/C26H37NO4S/c1-5-8-9-10-12-22-15-17-24(18-16-22)26(28)27(21(4)6-2)20-23-13-11-14-25(19-23)31-32(29,30)7-3/h11,13-19,21H,5-10,12,20H2,1-4H3