[3-[[[(2R)-butan-2-yl]-(4-ethylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2R)-butan-2-yl]-(4-ethylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-ethylbenzoyl)-[(1R)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2R)-butan-2-yl]-[(4-ethylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2R)-butan-2-yl]-(4-ethylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-ethylbenzoyl)-[(1R)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)OS(=O)(=O)CC)[C@H](C)CC

InChI

InChI=1S/C22H29NO4S/c1-5-17(4)23(22(24)20-13-11-18(6-2)12-14-20)16-19-9-8-10-21(15-19)27-28(25,26)7-3/h8-15,17H,5-7,16H2,1-4H3/t17-/m1/s1