methyl 4-[3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoylamino]benzoic acid methyl ester Formula: C23H26N4O6S MolecularWeight: 486.54074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H26N4O6S/c1-26-20-8-7-18(34(30,31)27-11-13-33-14-12-27)15-19(20)25-21(26)9-10-22(28)24-17-5-3-16(4-6-17)23(29)32-2/h3-8,15H,9-14H2,1-2H3,(H,24,28)