6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one; 2-oxidanylethanesulfonic acid

Systemtic Name: 6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one; 2-oxidanylethanesulfonic acid Openeye Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; 2-hydroxyethanesulfonic acid CAS Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one; 2-hydroxyethanesulfonic acid IUPAC Name: 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one; 2-hydroxyethanesulfonic acid Traditional Name: 6-chloro-3-[1-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one; 2-hydroxyethanesulfonic acid Formula: C24H30ClN5O6S MolecularWeight: 552.0429

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C(CS(=O)(=O)O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C(CS(=O)(=O)O)O

InChI

InChI=1S/C22H24ClN5O2.C2H6O4S/c23-15-6-7-20-18(14-15)25-22(30)28(20)16-8-12-26(13-9-16)10-3-11-27-19-5-2-1-4-17(19)24-21(27)29;3-1-2-7(4,5)6/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);3H,1-2H2,(H,4,5,6)