2-methyl-3-nitro-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-methyl-3-nitro-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-methyl-3-nitro-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]benzamide CAS Name: 2-methyl-3-nitro-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: 2-methyl-3-nitro-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-methyl-3-nitro-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)benzamide Formula: C20H20N4O5S2 MolecularWeight: 460.5266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

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