(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-methylbenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-methylbenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=CC=C4C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1COC(=O)C4=CC=CC=C4C

InChI

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