4-(1H-benzimidazol-2-yl)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(1H-benzimidazol-2-yl)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(1H-benzimidazol-2-yl)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(1H-benzimidazol-2-yl)-1-[4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(1H-benzimidazol-2-yl)-1-[4-(2,6-dimethylmorpholino)sulfonylpiperazino]butan-1-one Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H31N5O4S/c1-16-14-26(15-17(2)30-16)31(28,29)25-12-10-24(11-13-25)21(27)9-5-8-20-22-18-6-3-4-7-19(18)23-20/h3-4,6-7,16-17H,5,8-15H2,1-2H3,(H,22,23)