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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(3-nitrophenyl)sulfonylamino]benzamide Formula: C21H16N4O7S3 MolecularWeight: 532.56934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O7S3/c1-34(29,30)16-9-10-18-19(12-16)33-21(22-18)23-20(26)13-5-7-14(8-6-13)24-35(31,32)17-4-2-3-15(11-17)25(27)28/h2-12,24H,1H3,(H,22,23,26)