[2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate

Systemtic Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate Openeye Name: [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate CAS Name: 2-thiophenesulfonic acid [2-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]-3H-benzimidazol-5-yl] ester IUPAC Name: [2-(2-morpholin-4-ylethylcarbamoylamino)-3H-benzimidazol-5-yl] thiophene-2-sulfonate Traditional Name: thiophene-2-sulfonic acid [2-(2-morpholinoethylcarbamoylamino)-3H-benzimidazol-5-yl] ester Formula: C18H21N5O5S2 MolecularWeight: 451.51984

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1COCCN1CCNC(=O)NC2=NC3=C(N2)C=C(C=C3)OS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H21N5O5S2/c24-18(19-5-6-23-7-9-27-10-8-23)22-17-20-14-4-3-13(12-15(14)21-17)28-30(25,26)16-2-1-11-29-16/h1-4,11-12H,5-10H2,(H3,19,20,21,22,24)