N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(p-tolylsulfonylamino)benzamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)sulfonylamino]benzamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-2-(tosylamino)benzamide Formula: C21H16BrN3O3S2 MolecularWeight: 502.40404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)NC3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H16BrN3O3S2/c1-13-6-9-15(10-7-13)30(27,28)25-17-5-3-2-4-16(17)20(26)24-21-23-18-11-8-14(22)12-19(18)29-21/h2-12,25H,1H3,(H,23,24,26)