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

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-isobutyl-amino]methyl]phenyl] ester Formula: C23H33NO5S2 MolecularWeight: 467.64182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33NO5S2/c1-7-30(25,26)29-21-12-8-19(9-13-21)17-24(16-18(2)3)31(27,28)22-14-10-20(11-15-22)23(4,5)6/h8-15,18H,7,16-17H2,1-6H3