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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H38N4O4S/c30-24(20-26-14-10-23(11-15-26)25(31)28-12-6-1-2-7-13-28)27-16-18-29(19-17-27)34(32,33)21-22-8-4-3-5-9-22/h3-5,8-9,23H,1-2,6-7,10-21H2