4-phenylbutyl 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]thiomorpholine-3-carboxylate

Systemtic Name: 4-phenylbutyl 4-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]thiomorpholine-3-carboxylate Openeye Name: 4-phenylbutyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]thiomorpholine-3-carboxylate CAS Name: 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]-3-thiomorpholinecarboxylic acid 4-phenylbutyl ester IUPAC Name: 4-phenylbutyl 4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]thiomorpholine-3-carboxylate Traditional Name: 4-[(2-keto-1,3-dihydrobenzimidazol-5-yl)sulfamoyl]thiomorpholine-3-carboxylic acid 4-phenylbutyl ester Formula: C22H26N4O5S2 MolecularWeight: 490.59564

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC(N1S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C(=O)OCCCCC4=CC=CC=C4

Isomeric SMILES

C1CSCC(N1S(=O)(=O)NC2=CC3=C(C=C2)NC(=O)N3)C(=O)OCCCCC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O5S2/c27-21(31-12-5-4-8-16-6-2-1-3-7-16)20-15-32-13-11-26(20)33(29,30)25-17-9-10-18-19(14-17)24-22(28)23-18/h1-3,6-7,9-10,14,20,25H,4-5,8,11-13,15H2,(H2,23,24,28)