3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-N-pyridin-3-yl-propanamide

Systemtic Name: 3-(1-methyl-5-piperidin-1-ylsulfonyl-benzimidazol-2-yl)-N-pyridin-3-yl-propanamide Openeye Name: 3-[1-methyl-5-(1-piperidylsulfonyl)benzimidazol-2-yl]-N-(3-pyridyl)propanamide CAS Name: 3-[1-methyl-5-(1-piperidinylsulfonyl)-2-benzimidazolyl]-N-(3-pyridinyl)propanamide IUPAC Name: 3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-pyridin-3-ylpropanamide Traditional Name: 3-(1-methyl-5-piperidinosulfonyl-benzimidazol-2-yl)-N-(3-pyridyl)propionamide Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CN=CC=C4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H25N5O3S/c1-25-19-8-7-17(30(28,29)26-12-3-2-4-13-26)14-18(19)24-20(25)9-10-21(27)23-16-6-5-11-22-15-16/h5-8,11,14-15H,2-4,9-10,12-13H2,1H3,(H,23,27)