N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1H-benzimidazol-2-yl)-1-(3,4-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C21H24N4O5S MolecularWeight: 444.50406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H24N4O5S/c1-29-18-8-7-15(13-19(18)30-2)31(27,28)25-11-9-14(10-12-25)20(26)24-21-22-16-5-3-4-6-17(16)23-21/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,26)