3-[[4-[(3-bromophenyl)iminomethyl]-3-methyl-phenyl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate

Systemtic Name: 3-[[4-[(3-bromophenyl)iminomethyl]-3-methyl-phenyl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate Openeye Name: 3-[4-[(3-bromophenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[4-[(3-bromophenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl ester IUPAC Name: 3-[4-[(3-bromophenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[4-[(3-bromophenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl ester Formula: C22H29BrN2O6S2 MolecularWeight: 561.50946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C)C=NC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C)C=NC2=CC(=CC=C2)Br

InChI

InChI=1S/C22H29BrN2O6S2/c1-18-15-22(10-9-19(18)17-24-21-8-4-7-20(23)16-21)25(11-5-13-30-32(2,26)27)12-6-14-31-33(3,28)29/h4,7-10,15-17H,5-6,11-14H2,1-3H3