2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-(azepane-1-carbonyl)-1-piperidyl]-1-[4-(p-tolylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-[4-(azepane-1-carbonyl)piperidino]-1-(4-tosylpiperazino)ethanone Formula: C25H38N4O4S MolecularWeight: 490.65862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCC(CC3)C(=O)N4CCCCCC4

InChI

InChI=1S/C25H38N4O4S/c1-21-6-8-23(9-7-21)34(32,33)29-18-16-27(17-19-29)24(30)20-26-14-10-22(11-15-26)25(31)28-12-4-2-3-5-13-28/h6-9,22H,2-5,10-20H2,1H3