1-[4-[4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-(2-thienylsulfonyl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-(2-thienylsulfonyl)nipecotoyl]piperazino]phenyl]ethanone Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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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=CC=CS4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCN(C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N3O4S2/c1-17(26)18-6-8-20(9-7-18)23-11-13-24(14-12-23)22(27)19-4-2-10-25(16-19)31(28,29)21-5-3-15-30-21/h3,5-9,15,19H,2,4,10-14,16H2,1H3