[4-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-isopentyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-isoamyl-amino]methyl]phenyl] ester Formula: C23H33NO5S2 MolecularWeight: 467.64182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C23H33NO5S2/c1-18(2)15-16-24(17-19-7-11-21(12-8-19)29-30(6,25)26)31(27,28)22-13-9-20(10-14-22)23(3,4)5/h7-14,18H,15-17H2,1-6H3