[5-(4-methylpiperazin-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [5-(4-methylpiperazin-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-piperidin-1-yl-methanone Openeye Name: [5-(4-methylpiperazin-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-(1-piperidyl)methanone CAS Name: [5-[(4-methyl-1-piperazinyl)sulfonyl]-2-(methylthio)phenyl]-(1-piperidinyl)methanone IUPAC Name: [5-(4-methylpiperazin-1-yl)sulfonyl-2-methylsulfanylphenyl]-piperidin-1-ylmethanone Traditional Name: [5-(4-methylpiperazino)sulfonyl-2-(methylthio)phenyl]-piperidino-methanone Formula: C18H27N3O3S2 MolecularWeight: 397.55528

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-19-10-12-21(13-11-19)26(23,24)15-6-7-17(25-2)16(14-15)18(22)20-8-4-3-5-9-20/h6-7,14H,3-5,8-13H2,1-2H3