(2S)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-morpholin-4-yl-propan-1-one

Systemtic Name: (2S)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-morpholin-4-yl-propan-1-one Openeye Name: (2S)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-morpholino-propan-1-one CAS Name: (2S)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-(4-morpholinyl)-1-propanone IUPAC Name: (2S)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-morpholin-4-ylpropan-1-one Traditional Name: (2S)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-1-morpholino-propan-1-one Formula: C17H26N4O4S2 MolecularWeight: 414.54274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

C[C@@H](C(=O)N1CCOCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H26N4O4S2/c1-14(17(22)20-9-11-25-12-10-20)26-16-4-3-15(13-18-16)27(23,24)21-7-5-19(2)6-8-21/h3-4,13-14H,5-12H2,1-2H3/t14-/m0/s1