1-[4-[4-(1-propylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-propylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-(1-propylsulfonyl-3-piperidinyl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(1-propylsulfonylnipecotoyl)piperazino]phenyl]ethanone Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H31N3O4S/c1-3-15-29(27,28)24-10-4-5-19(16-24)21(26)23-13-11-22(12-14-23)20-8-6-18(7-9-20)17(2)25/h6-9,19H,3-5,10-16H2,1-2H3