2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Openeye Name: 2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-(3-methyl-1-piperidyl)ethanone CAS Name: 2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-(3-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-(3-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-1-(3-methylpiperidino)ethanone Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C18H28N4O3S2/c1-15-4-3-7-21(13-15)18(23)14-26-17-6-5-16(12-19-17)27(24,25)22-10-8-20(2)9-11-22/h5-6,12,15H,3-4,7-11,13-14H2,1-2H3