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

Systemtic Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]benzamide CAS Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-4-nitrobenzamide IUPAC Name: N-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-4-nitrobenzamide Traditional Name: 4-nitro-N-[2-(tosylamino)-1,3-benzothiazol-6-yl]benzamide Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c1-13-2-9-17(10-3-13)32(29,30)24-21-23-18-11-6-15(12-19(18)31-21)22-20(26)14-4-7-16(8-5-14)25(27)28/h2-12H,1H3,(H,22,26)(H,23,24)