[5-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]-2-methoxy-phenyl] ester Formula: C24H33NO5S MolecularWeight: 447.58752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO5S/c1-8-31(27,28)30-22-15-18(9-14-21(22)29-7)16-25(17(2)3)23(26)19-10-12-20(13-11-19)24(4,5)6/h9-15,17H,8,16H2,1-7H3