sodium 3-[(2E)-5-chloranyl-3-ethyl-6-methoxycarbonyl-2-prop-2-enylidene-benzimidazol-1-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2E)-5-chloranyl-3-ethyl-6-methoxycarbonyl-2-prop-2-enylidene-benzimidazol-1-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2E)-2-allylidene-5-chloro-3-ethyl-6-methoxycarbonyl-benzimidazol-1-yl]propane-1-sulfonate CAS Name: sodium 3-[(2E)-5-chloro-3-ethyl-6-methoxycarbonyl-2-prop-2-enylidene-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: sodium 3-[(2E)-5-chloro-3-ethyl-6-methoxycarbonyl-2-prop-2-enylidenebenzimidazol-1-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2E)-2-allylidene-6-carbomethoxy-5-chloro-3-ethyl-benzimidazol-1-yl]propane-1-sulfonate Formula: C17H20ClN2NaO5S MolecularWeight: 422.85887

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)Cl)C(=O)OC)N(C1=CC=C)CCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCN\1C2=C(C=C(C(=C2)Cl)C(=O)OC)N(/C1=C/C=C)CCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C17H21ClN2O5S.Na/c1-4-7-16-19(5-2)15-11-13(18)12(17(21)25-3)10-14(15)20(16)8-6-9-26(22,23)24;/h4,7,10-11H,1,5-6,8-9H2,2-3H3,(H,22,23,24);/q;+1/p-1/b16-7+;