[4-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [4-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isobutyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[2-methylpropyl(1-oxopentyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[2-methylpropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isobutyl(valeryl)amino]methyl]phenyl] ester Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)CC(C)C

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)OS(=O)(=O)CC)CC(C)C

InChI

InChI=1S/C18H29NO4S/c1-5-7-8-18(20)19(13-15(3)4)14-16-9-11-17(12-10-16)23-24(21,22)6-2/h9-12,15H,5-8,13-14H2,1-4H3