2-tert-butylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonyl-phenyl]ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-(1-piperidylsulfonyl)phenyl]acetamide CAS Name: 2-(tert-butylthio)-N-[2-(4-methyl-1-piperazinyl)-5-(1-piperidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-tert-butylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-piperidin-1-ylsulfonylphenyl]acetamide Traditional Name: 2-(tert-butylthio)-N-[2-(4-methylpiperazino)-5-piperidinosulfonyl-phenyl]acetamide Formula: C22H36N4O3S2 MolecularWeight: 468.67624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)N3CCN(CC3)C

InChI

InChI=1S/C22H36N4O3S2/c1-22(2,3)30-17-21(27)23-19-16-18(31(28,29)26-10-6-5-7-11-26)8-9-20(19)25-14-12-24(4)13-15-25/h8-9,16H,5-7,10-15,17H2,1-4H3,(H,23,27)