1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[1-(1H-imidazol-5-ylsulfonyl)-3-piperidinyl]-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-(1H-imidazol-5-ylsulfonyl)nipecotoyl]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)C3CCCN(C3)S(=O)(=O)C4=CN=CN4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CN=CN4

InChI

InChI=1S/C21H27N5O4S/c1-16(27)17-4-6-19(7-5-17)24-9-11-25(12-10-24)21(28)18-3-2-8-26(14-18)31(29,30)20-13-22-15-23-20/h4-7,13,15,18H,2-3,8-12,14H2,1H3,(H,22,23)