(5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-chloranylbenzoate

Systemtic Name: (5-morpholin-4-ylsulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-chloranylbenzoate Openeye Name: (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [5-(4-morpholinylsulfonyl)-1-propyl-2-benzimidazolyl]methyl ester IUPAC Name: (5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)methyl 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid (5-morpholinosulfonyl-1-propyl-benzimidazol-2-yl)methyl ester Formula: C22H24ClN3O5S MolecularWeight: 477.96106

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=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O5S/c1-2-8-26-20-7-6-18(32(28,29)25-9-11-30-12-10-25)14-19(20)24-21(26)15-31-22(27)16-4-3-5-17(23)13-16/h3-7,13-14H,2,8-12,15H2,1H3