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

Systemtic Name: [3-[[butan-2-yl-(4-tert-butylphenyl)sulfonyl-amino]methyl]phenyl] ethanesulfonate Openeye Name: [3-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [3-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [3-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C23H33NO5S2 MolecularWeight: 467.64182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCC(C)N(CC1=CC(=CC=C1)OS(=O)(=O)CC)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H33NO5S2/c1-7-18(3)24(17-19-10-9-11-21(16-19)29-30(25,26)8-2)31(27,28)22-14-12-20(13-15-22)23(4,5)6/h9-16,18H,7-8,17H2,1-6H3