4-azanyl-5-(2-diethylaminoethyl)-N,2-dimethyl-3-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide; methanesulfonate

Systemtic Name: 4-azanyl-5-(2-diethylaminoethyl)-N,2-dimethyl-3-(9-oxidanylidenethioxanthen-4-yl)benzenesulfonamide; methanesulfonate Openeye Name: 4-amino-5-(2-diethylaminoethyl)-N,2-dimethyl-3-(9-oxothioxanthen-4-yl)benzenesulfonamide; methanesulfonate CAS Name: 4-amino-5-(2-diethylaminoethyl)-N,2-dimethyl-3-(9-oxo-4-thioxanthenyl)benzenesulfonamide; methanesulfonate IUPAC Name: 4-amino-5-(2-diethylaminoethyl)-N,2-dimethyl-3-(9-oxothioxanthen-4-yl)benzenesulfonamide; methanesulfonate Traditional Name: 4-amino-5-(2-diethylaminoethyl)-3-(9-ketothioxanthen-4-yl)-N,2-dimethyl-benzenesulfonamide mesylate Formula: C28H34N3O6S3- MolecularWeight: 604.78106

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC(=C(C(=C1N)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)C)S(=O)(=O)NC.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CCC1=CC(=C(C(=C1N)C2=CC=CC3=C2SC4=CC=CC=C4C3=O)C)S(=O)(=O)NC.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H31N3O3S2.CH4O3S/c1-5-30(6-2)15-14-18-16-23(35(32,33)29-4)17(3)24(25(18)28)20-11-9-12-21-26(31)19-10-7-8-13-22(19)34-27(20)21;1-5(2,3)4/h7-13,16,29H,5-6,14-15,28H2,1-4H3;1H3,(H,2,3,4)/p-1