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

Systemtic Name: [4-[[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Openeye Name: [4-[[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester IUPAC Name: [4-[[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(4-chlorophenyl)sulfonyl-(3-methoxypropyl)amino]methyl]phenyl] ester Formula: C18H22ClNO6S2 MolecularWeight: 447.95338

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

COCCCN(CC1=CC=C(C=C1)OS(=O)(=O)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H22ClNO6S2/c1-25-13-3-12-20(28(23,24)18-10-6-16(19)7-11-18)14-15-4-8-17(9-5-15)26-27(2,21)22/h4-11H,3,12-14H2,1-2H3