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

Systemtic Name: 4-azanylbenzenesulfonic acid; 6-chloranyl-3-[1-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 4-aminobenzenesulfonic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 4-aminobenzenesulfonic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 4-aminobenzenesulfonic acid; 6-chloro-3-[1-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 4-aminobesylic acid; 6-chloro-3-[1-[3-(2-keto-3H-benzimidazol-1-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C28H31ClN6O5S MolecularWeight: 599.10094

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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.C1=CC(=CC=C1N)S(=O)(=O)O

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O.C1=CC(=CC=C1N)S(=O)(=O)O

InChI

InChI=1S/C22H24ClN5O2.C6H7NO3S/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;7-5-1-3-6(4-2-5)11(8,9)10/h1-2,4-7,14,16H,3,8-13H2,(H,24,29)(H,25,30);1-4H,7H2,(H,8,9,10)