N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-N-piperonyl-propionamide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H26N4O5S2/c1-15(21(26)23-12-16-3-5-18-19(11-16)30-14-29-18)31-20-6-4-17(13-22-20)32(27,28)25-9-7-24(2)8-10-25/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,26)