1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-morpholinosulfonylimidazol-1-yl)ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[4-(4-morpholinylsulfonyl)-1-imidazolyl]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(4-morpholinosulfonylimidazol-1-yl)ethanone Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=C(N=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CN3C=C(N=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C21H29N5O4S/c1-17-4-3-5-19(18(17)2)24-6-8-25(9-7-24)21(27)15-23-14-20(22-16-23)31(28,29)26-10-12-30-13-11-26/h3-5,14,16H,6-13,15H2,1-2H3