(2R)-4-oxidanyl-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-butanoate

Systemtic Name: (2R)-4-oxidanyl-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-butanoate Openeye Name: (2R)-4-hydroxy-2-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)sulfanyl-butanoate CAS Name: (2R)-4-hydroxy-2-[(1-propyl-5-sulfamoyl-2-benzimidazolyl)thio]butanoate IUPAC Name: (2R)-4-hydroxy-2-(1-propyl-5-sulfamoylbenzimidazol-2-yl)sulfanylbutanoate Traditional Name: (2R)-4-hydroxy-2-[(1-propyl-5-sulfamoyl-benzimidazol-2-yl)thio]butyrate Formula: C14H18N3O5S2- MolecularWeight: 372.43982

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SC(CCO)C(=O)[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1S[C@H](CCO)C(=O)[O-]

InChI

InChI=1S/C14H19N3O5S2/c1-2-6-17-11-4-3-9(24(15,21)22)8-10(11)16-14(17)23-12(5-7-18)13(19)20/h3-4,8,12,18H,2,5-7H2,1H3,(H,19,20)(H2,15,21,22)/p-1/t12-/m1/s1