[3-[[(4-tert-butylphenyl)carbonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=CC(=C1)CN(CC(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H33NO4S/c1-7-30(27,28)29-22-10-8-9-19(15-22)17-25(16-18(2)3)23(26)20-11-13-21(14-12-20)24(4,5)6/h8-15,18H,7,16-17H2,1-6H3