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

Systemtic Name: 1-(azepan-1-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one CAS Name: 1-(1-azepanyl)-3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C22H32N4O4S MolecularWeight: 448.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCCCCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H32N4O4S/c1-2-26-20-8-7-18(31(28,29)25-13-15-30-16-14-25)17-19(20)23-21(26)9-10-22(27)24-11-5-3-4-6-12-24/h7-8,17H,2-6,9-16H2,1H3