phenyl 2-(butoxycarbonylamino)-3H-benzimidazole-5-sulfonate

Systemtic Name: phenyl 2-(butoxycarbonylamino)-3H-benzimidazole-5-sulfonate Openeye Name: phenyl 2-(butoxycarbonylamino)-3H-benzimidazole-5-sulfonate CAS Name: 2-[[butoxy(oxo)methyl]amino]-3H-benzimidazole-5-sulfonic acid phenyl ester IUPAC Name: phenyl 2-(butoxycarbonylamino)-3H-benzimidazole-5-sulfonate Traditional Name: 2-(butoxycarbonylamino)-3H-benzimidazole-5-sulfonic acid phenyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c1-2-3-11-25-18(22)21-17-19-15-10-9-14(12-16(15)20-17)27(23,24)26-13-7-5-4-6-8-13/h4-10,12H,2-3,11H2,1H3,(H2,19,20,21,22)