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

Systemtic Name: (4-methylphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: p-tolyl 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]propanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propionic acid p-tolyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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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)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)OC4=CC=C(C=C4)C

InChI

InChI=1S/C23H27N3O5S/c1-3-26-21-9-8-19(32(28,29)25-12-14-30-15-13-25)16-20(21)24-22(26)10-11-23(27)31-18-6-4-17(2)5-7-18/h4-9,16H,3,10-15H2,1-2H3