(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid [1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]methyl ester IUPAC Name: (1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)methyl ester Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H28N4O5S/c1-2-29-23-9-8-19(35(31,32)28-11-13-33-14-12-28)15-22(23)27-24(29)17-34-25(30)10-7-18-16-26-21-6-4-3-5-20(18)21/h3-6,8-9,15-16,26H,2,7,10-14,17H2,1H3