1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[1-(1H-imidazol-5-ylsulfonyl)-4-piperidinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-4-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)isonipecotoyl]piperazino]phenyl]ethanone Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCN(CC3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C21H27N5O4S/c1-16(27)17-2-4-19(5-3-17)24-10-12-25(13-11-24)21(28)18-6-8-26(9-7-18)31(29,30)20-14-22-15-23-20/h2-5,14-15,18H,6-13H2,1H3,(H,22,23)