N-(4,6-dimethylpyrimidin-2-yl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(3-methyl-4H-1,4-benzothiazin-2-yl)amino]benzenesulfonamide Formula: C21H21N5O2S2 MolecularWeight: 439.55374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C21H21N5O2S2/c1-13-12-14(2)23-21(22-13)26-30(27,28)17-10-8-16(9-11-17)25-20-15(3)24-18-6-4-5-7-19(18)29-20/h4-12,24-25H,1-3H3,(H,22,23,26)