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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)propan-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-3-[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]-1-propanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)propan-1-one Traditional Name: 1-(4-acetylpiperazino)-3-(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)propan-1-one Formula: C22H31N5O5S MolecularWeight: 477.57704

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CCC(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H31N5O5S/c1-3-27-20-5-4-18(33(30,31)26-12-14-32-15-13-26)16-19(20)23-21(27)6-7-22(29)25-10-8-24(9-11-25)17(2)28/h4-5,16H,3,6-15H2,1-2H3