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

Systemtic Name: 2-[[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]-3-hydroxy-propanoic acid CAS Name: 2-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]anilino]-3-hydroxypropanoic acid IUPAC Name: 2-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]-3-hydroxypropanoic acid Traditional Name: 2-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]anilino]-3-hydroxy-propionic acid Formula: C20H20N4O7S MolecularWeight: 460.4604

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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)NC(CO)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7S/c25-10-17(19(27)28)21-12-3-6-14(7-4-12)32(29,30)31-13-5-8-15-16(9-13)23-20(22-15)24-18(26)11-1-2-11/h3-9,11,17,21,25H,1-2,10H2,(H,27,28)(H2,22,23,24,26)