N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)isonipecotamide 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)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5S2/c1-31(28,29)14-6-7-15-18(12-14)30-20(21-15)22-19(25)13-8-10-23(11-9-13)16-4-2-3-5-17(16)24(26)27/h2-7,12-13H,8-11H2,1H3,(H,21,22,25)