N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-benzenesulfonamide; methanesulfonate

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-N-methyl-benzenesulfonamide; methanesulfonate Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-N-methyl-benzenesulfonamide; methanesulfonate CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-N-methylbenzenesulfonamide; methanesulfonate IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-N-methylbenzenesulfonamide; methanesulfonate Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-N-methyl-benzenesulfonamide mesylate Formula: C28H34N3O6S3- MolecularWeight: 604.78106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CN(C)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CN(C)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H31N3O3S2.CH4O3S/c1-4-30(5-2)18-17-28-23-16-15-20(19-29(3)35(32,33)21-11-7-6-8-12-21)27-25(23)26(31)22-13-9-10-14-24(22)34-27;1-5(2,3)4/h6-16,28H,4-5,17-19H2,1-3H3;1H3,(H,2,3,4)/p-1