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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(4-nitropyrazol-1-yl)methyl]benzamide Formula: C19H15N5O5S2 MolecularWeight: 457.4829

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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)CN4C=C(C=N4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O5S2/c1-31(28,29)15-6-7-16-17(8-15)30-19(21-16)22-18(25)13-4-2-12(3-5-13)10-23-11-14(9-20-23)24(26)27/h2-9,11H,10H2,1H3,(H,21,22,25)