[3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate

Systemtic Name: [3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester IUPAC Name: [3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-(2-methoxyethyl)amino]methyl]phenyl] ester Formula: C22H31NO6S2 MolecularWeight: 469.61464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO6S2/c1-6-30(24,25)29-20-9-7-8-18(16-20)17-23(14-15-28-5)31(26,27)21-12-10-19(11-13-21)22(2,3)4/h7-13,16H,6,14-15,17H2,1-5H3