[3-[[[(2S)-butan-2-yl]-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[[(2S)-butan-2-yl]-(4-tert-butylphenyl)carbonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(2S)-butan-2-yl]-[(4-tert-butylphenyl)-oxomethyl]amino]methyl]phenyl] ester IUPAC Name: [3-[[[(2S)-butan-2-yl]-(4-tert-butylbenzoyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-tert-butylbenzoyl)-[(1S)-1-methylpropyl]amino]methyl]phenyl] ester Formula: C24H33NO4S MolecularWeight: 431.58812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H33NO4S/c1-7-18(3)25(23(26)20-12-14-21(15-13-20)24(4,5)6)17-19-10-9-11-22(16-19)29-30(27,28)8-2/h9-16,18H,7-8,17H2,1-6H3/t18-/m0/s1