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

Systemtic Name: [3-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[oxo-(propan-2-ylamino)methyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[propan-2-yl(propan-2-ylcarbamoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[isopropyl(isopropylcarbamoyl)amino]methyl]phenyl] ester Formula: C16H26N2O4S MolecularWeight: 342.45364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O4S/c1-6-23(20,21)22-15-9-7-8-14(10-15)11-18(13(4)5)16(19)17-12(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,17,19)