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

Systemtic Name: [4-[[pentanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[isopropyl(pentanoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[1-oxopentyl(propan-2-yl)amino]methyl]phenyl] ester IUPAC Name: [4-[[pentanoyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[isopropyl(valeryl)amino]methyl]phenyl] ester Formula: C17H27NO4S MolecularWeight: 341.46558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27NO4S/c1-5-7-8-17(19)18(14(3)4)13-15-9-11-16(12-10-15)22-23(20,21)6-2/h9-12,14H,5-8,13H2,1-4H3