[3-[[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate

Systemtic Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-yl-amino]methyl]phenyl] methanesulfonate Openeye Name: [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] ester IUPAC Name: [3-[[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [3-[[isopropyl-(4-methoxyphenyl)sulfonyl-amino]methyl]phenyl] ester Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6S2/c1-14(2)19(27(22,23)18-10-8-16(24-3)9-11-18)13-15-6-5-7-17(12-15)25-26(4,20)21/h5-12,14H,13H2,1-4H3