N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-ethyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

CCN(C1=NC2=CC=CC=C2S1)C(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O5S2/c1-3-25(22-23-18-6-4-5-7-19(18)32-22)21(27)16-10-12-24(13-11-16)33(30,31)20-14-17(26(28)29)9-8-15(20)2/h4-9,14,16H,3,10-13H2,1-2H3