1-(azepan-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-methyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1-methyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(1-methyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C21H30N4O4S MolecularWeight: 434.5523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCCCCC4

InChI

InChI=1S/C21H30N4O4S/c1-23-19-7-6-17(30(27,28)25-12-14-29-15-13-25)16-18(19)22-20(23)8-9-21(26)24-10-4-2-3-5-11-24/h6-7,16H,2-5,8-15H2,1H3