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

Systemtic Name: [4-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-tert-butylphenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C22H31NO6S2 MolecularWeight: 469.61464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N(CCCOC)CC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H31NO6S2/c1-22(2,3)19-9-13-21(14-10-19)31(26,27)23(15-6-16-28-4)17-18-7-11-20(12-8-18)29-30(5,24)25/h7-14H,6,15-17H2,1-5H3