2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]amino]ethanesulfonic acid

Systemtic Name: 2-[[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]amino]ethanesulfonic acid Openeye Name: 2-[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]ethanesulfonic acid CAS Name: 2-[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]ethanesulfonic acid IUPAC Name: 2-[4-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]ethanesulfonic acid Traditional Name: 2-[4-[[2-(carbomethoxyamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]ethanesulfonic acid Formula: C17H18N4O8S2 MolecularWeight: 470.47682

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCS(=O)(=O)O

Isomeric SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)NCCS(=O)(=O)O

InChI

InChI=1S/C17H18N4O8S2/c1-28-17(22)21-16-19-14-7-4-12(10-15(14)20-16)29-31(26,27)13-5-2-11(3-6-13)18-8-9-30(23,24)25/h2-7,10,18H,8-9H2,1H3,(H,23,24,25)(H2,19,20,21,22)