1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one

Systemtic Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-3-pyridin-3-yl-propan-1-one Openeye Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]-3-(3-pyridyl)propan-1-one CAS Name: 1-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]-3-(3-pyridinyl)-1-propanone IUPAC Name: 1-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one Traditional Name: 1-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]-3-(3-pyridyl)propan-1-one Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)CCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)CCC4=CN=CC=C4

InChI

InChI=1S/C21H27N5O4S/c27-21(6-3-18-2-1-7-22-16-18)25-10-8-24(9-11-25)20-5-4-19(17-23-20)31(28,29)26-12-14-30-15-13-26/h1-2,4-5,7,16-17H,3,6,8-15H2