(4-nitrophenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: (4-nitrophenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: (4-nitrophenyl) 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid (4-nitrophenyl) ester Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-2-25-20-8-7-18(34(30,31)24-11-13-32-14-12-24)15-19(20)23-21(25)9-10-22(27)33-17-5-3-16(4-6-17)26(28)29/h3-8,15H,2,9-14H2,1H3