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

Systemtic Name: [4-[[cyclohexylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[cyclohexanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[cyclohexyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[cyclohexanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[cyclohexanecarbonyl(isopropyl)amino]methyl]phenyl] ester Formula: C19H29NO4S MolecularWeight: 367.50286

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2CCCCC2

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=C1)CN(C(C)C)C(=O)C2CCCCC2

InChI

InChI=1S/C19H29NO4S/c1-4-25(22,23)24-18-12-10-16(11-13-18)14-20(15(2)3)19(21)17-8-6-5-7-9-17/h10-13,15,17H,4-9,14H2,1-3H3