3-[[4-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]iminomethyl]-3-methyl-phenyl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride

Systemtic Name: 3-[[4-[[3,5-bis(bromanyl)-4-oxidanyl-phenyl]iminomethyl]-3-methyl-phenyl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate hydrochloride Openeye Name: 3-[4-[(3,5-dibromo-4-hydroxy-phenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate hydrochloride CAS Name: methanesulfonic acid 3-[4-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl ester hydrochloride IUPAC Name: 3-[4-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate hydrochloride Traditional Name: methanesulfonic acid 3-[4-[(3,5-dibromo-4-hydroxy-phenyl)iminomethyl]-3-methyl-N-(3-methylsulfonyloxypropyl)anilino]propyl ester hydrochloride Formula: C22H29Br2ClN2O7S2 MolecularWeight: 692.86586

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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(=C(C(=C2)Br)O)Br.Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H28Br2N2O7S2.ClH/c1-16-12-19(7-6-17(16)15-25-18-13-20(23)22(27)21(24)14-18)26(8-4-10-32-34(2,28)29)9-5-11-33-35(3,30)31;/h6-7,12-15,27H,4-5,8-11H2,1-3H3;1H