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

Systemtic Name: 3-[[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]amino]propanoic acid Openeye Name: 3-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]propanoic acid CAS Name: 3-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]anilino]propanoic acid IUPAC Name: 3-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]propanoic acid Traditional Name: 3-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]propionic acid Formula: C20H20N4O6S MolecularWeight: 444.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCC(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)NCCC(=O)O

InChI

InChI=1S/C20H20N4O6S/c25-18(26)9-10-21-13-3-6-15(7-4-13)31(28,29)30-14-5-8-16-17(11-14)23-20(22-16)24-19(27)12-1-2-12/h3-8,11-12,21H,1-2,9-10H2,(H,25,26)(H2,22,23,24,27)