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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]propanamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanamide Traditional Name: 2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-N-veratryl-propionamide Formula: C22H30N4O5S2 MolecularWeight: 494.6274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C22H30N4O5S2/c1-16(22(27)24-14-17-5-7-19(30-3)20(13-17)31-4)32-21-8-6-18(15-23-21)33(28,29)26-11-9-25(2)10-12-26/h5-8,13,15-16H,9-12,14H2,1-4H3,(H,24,27)