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

Systemtic Name: [4-[[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[isopentyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-methoxyphenyl)sulfonyl-(3-methylbutyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[isoamyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C20H27NO6S2 MolecularWeight: 441.56148

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO6S2/c1-16(2)13-14-21(29(24,25)20-11-9-18(26-3)10-12-20)15-17-5-7-19(8-6-17)27-28(4,22)23/h5-12,16H,13-15H2,1-4H3