1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]aziridine-2-carboxylic acid

Systemtic Name: 1-[4-[[2-(cyclopropylcarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]aziridine-2-carboxylic acid Openeye Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]aziridine-2-carboxylic acid CAS Name: 1-[4-[[2-[[cyclopropyl(oxo)methyl]amino]-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]-2-aziridinecarboxylic acid IUPAC Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]aziridine-2-carboxylic acid Traditional Name: 1-[4-[[2-(cyclopropanecarbonylamino)-3H-benzimidazol-5-yl]oxysulfonyl]phenyl]ethylenimine-2-carboxylic acid Formula: C20H18N4O6S MolecularWeight: 442.44512

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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)N5CC5C(=O)O

Isomeric SMILES

C1CC1C(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)N5CC5C(=O)O

InChI

InChI=1S/C20H18N4O6S/c25-18(11-1-2-11)23-20-21-15-8-5-13(9-16(15)22-20)30-31(28,29)14-6-3-12(4-7-14)24-10-17(24)19(26)27/h3-9,11,17H,1-2,10H2,(H,26,27)(H2,21,22,23,25)