N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-4-(dimethylamino)-N-methyl-butane-1-sulfonamide; methanesulfonic acid

Systemtic Name: N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-4-(dimethylamino)-N-methyl-butane-1-sulfonamide; methanesulfonic acid Openeye Name: N-(1-amino-9-oxo-thioxanthen-4-yl)-4-(dimethylamino)-N-methyl-butane-1-sulfonamide; methanesulfonic acid CAS Name: N-(1-amino-9-oxo-4-thioxanthenyl)-4-(dimethylamino)-N-methyl-1-butanesulfonamide; methanesulfonic acid IUPAC Name: N-(1-amino-9-oxothioxanthen-4-yl)-4-(dimethylamino)-N-methylbutane-1-sulfonamide; methanesulfonic acid Traditional Name: N-(1-amino-9-keto-thioxanthen-4-yl)-4-(dimethylamino)-N-methyl-butane-1-sulfonamide; mesylic acid Formula: C22H33N3O9S4 MolecularWeight: 611.77212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN(C)CCCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C20H25N3O3S2.2CH4O3S/c1-22(2)12-6-7-13-28(25,26)23(3)16-11-10-15(21)18-19(24)14-8-4-5-9-17(14)27-20(16)18;2*1-5(2,3)4/h4-5,8-11H,6-7,12-13,21H2,1-3H3;2*1H3,(H,2,3,4)