N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-5-nitro-2-piperidino-benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C20H20N4O5S2/c1-31(28,29)14-6-7-16-18(12-14)30-20(21-16)22-19(25)15-11-13(24(26)27)5-8-17(15)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H,21,22,25)