2-[(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[(1-butyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[1-butyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(1-butyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[(1-butyl-5-morpholinosulfonyl-benzimidazol-2-yl)methylthio]nicotinic acid Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C22H26N4O5S2/c1-2-3-9-26-19-7-6-16(33(29,30)25-10-12-31-13-11-25)14-18(19)24-20(26)15-32-21-17(22(27)28)5-4-8-23-21/h4-8,14H,2-3,9-13,15H2,1H3,(H,27,28)