4-[(Z)-2-chloranyl-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(Z)-2-chloranyl-2-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(Z)-2-chloro-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)vinyl]benzoic acid CAS Name: 4-[(Z)-2-chloro-2-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]ethenyl]benzoic acid IUPAC Name: 4-[(Z)-2-chloro-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(Z)-2-chloro-2-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)vinyl]benzoic acid Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1C(=CC4=CC=C(C=C4)C(=O)O)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1/C(=C/C4=CC=C(C=C4)C(=O)O)/Cl

InChI

InChI=1S/C22H22ClN3O5S/c1-2-26-20-8-7-17(32(29,30)25-9-11-31-12-10-25)14-19(20)24-21(26)18(23)13-15-3-5-16(6-4-15)22(27)28/h3-8,13-14H,2,9-12H2,1H3,(H,27,28)/b18-13-