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

Systemtic Name: [3-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]phenyl] ester Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO4S/c1-7-29(26,27)28-21-10-8-9-18(15-21)16-24(17(2)3)22(25)19-11-13-20(14-12-19)23(4,5)6/h8-15,17H,7,16H2,1-6H3