2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-propanamide

Systemtic Name: 2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enyl-propanamide Openeye Name: N-allyl-2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: 2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]-N-prop-2-enylpropanamide IUPAC Name: 2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-N-prop-2-enylpropanamide Traditional Name: N-allyl-2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]propionamide Formula: C22H28N4O3S2 MolecularWeight: 460.61272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC=C)SC1=NC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3S2/c1-3-11-23-22(27)18(2)30-21-10-9-20(16-24-21)31(28,29)26-14-12-25(13-15-26)17-19-7-5-4-6-8-19/h3-10,16,18H,1,11-15,17H2,2H3,(H,23,27)