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

Systemtic Name: [4-[[(4-tert-butylphenyl)carbonyl-propan-2-yl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-tert-butylbenzoyl)-isopropyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[[(4-tert-butylphenyl)-oxomethyl]-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylbenzoyl)-propan-2-ylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(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=C(C=C1)CN(C(C)C)C(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)OC1=CC=C(C=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)28-21-14-8-18(9-15-21)16-24(17(2)3)22(25)19-10-12-20(13-11-19)23(4,5)6/h8-15,17H,7,16H2,1-6H3