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

Systemtic Name: [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] ester IUPAC Name: [4-[[butan-2-yl-(4-tert-butylphenyl)sulfonylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-sec-butyl-amino]methyl]phenyl] ester Formula: C22H31NO5S2 MolecularWeight: 453.61524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5S2/c1-7-17(2)23(16-18-8-12-20(13-9-18)28-29(6,24)25)30(26,27)21-14-10-19(11-15-21)22(3,4)5/h8-15,17H,7,16H2,1-6H3