4-[[2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)ethylamino]methyl]benzenesulfonamide

Systemtic Name: 4-[[2-(1,2-dimethyl-5-oxidanylidene-phenothiazin-10-yl)ethylamino]methyl]benzenesulfonamide Openeye Name: 4-[[2-(1,2-dimethyl-5-oxo-phenothiazin-10-yl)ethylamino]methyl]benzenesulfonamide CAS Name: 4-[[2-(1,2-dimethyl-5-oxo-10-phenothiazinyl)ethylamino]methyl]benzenesulfonamide IUPAC Name: 4-[[2-(1,2-dimethyl-5-oxophenothiazin-10-yl)ethylamino]methyl]benzenesulfonamide Traditional Name: 4-[[2-(5-keto-1,2-dimethyl-phenothiazin-10-yl)ethylamino]methyl]benzenesulfonamide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC=C(C=C4)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)S(=O)C3=CC=CC=C3N2CCNCC4=CC=C(C=C4)S(=O)(=O)N)C

InChI

InChI=1S/C23H25N3O3S2/c1-16-7-12-22-23(17(16)2)26(20-5-3-4-6-21(20)30(22)27)14-13-25-15-18-8-10-19(11-9-18)31(24,28)29/h3-12,25H,13-15H2,1-2H3,(H2,24,28,29)