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

Systemtic Name: [3-[[cyclohexylcarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[cyclohexanecarbonyl(isopropyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[cyclohexyl(oxo)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[cyclohexanecarbonyl(propan-2-yl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[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=CC(=C1)CN(C(C)C)C(=O)C2CCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4S/c1-4-25(22,23)24-18-12-8-9-16(13-18)14-20(15(2)3)19(21)17-10-6-5-7-11-17/h8-9,12-13,15,17H,4-7,10-11,14H2,1-3H3