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

Systemtic Name: 1-[3-[4-(1-propylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[oxo-(1-propylsulfonyl-3-piperidinyl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(1-propylsulfonylnipecotoyl)piperazino]sulfonylphenyl]ethanone Formula: C21H31N3O6S2 MolecularWeight: 485.61734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O6S2/c1-3-14-31(27,28)24-9-5-7-19(16-24)21(26)22-10-12-23(13-11-22)32(29,30)20-8-4-6-18(15-20)17(2)25/h4,6,8,15,19H,3,5,7,9-14,16H2,1-2H3