1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one

Systemtic Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-4-thiophen-2-yl-butan-1-one Openeye Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-4-(2-thienyl)butan-1-one CAS Name: 1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-4-thiophen-2-yl-1-butanone IUPAC Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one Traditional Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-4-(2-thienyl)butan-1-one Formula: C21H28N4O4S2 MolecularWeight: 464.60142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)CCCC4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C21H28N4O4S2/c26-21(5-1-3-18-4-2-16-30-18)24-10-8-23(9-11-24)20-7-6-19(17-22-20)31(27,28)25-12-14-29-15-13-25/h2,4,6-7,16-17H,1,3,5,8-15H2