N-(2-methyl-4-nitro-phenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C19H23N5O5S2 MolecularWeight: 465.54642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C19H23N5O5S2/c1-14-11-15(24(26)27)3-5-17(14)21-18(25)13-30-19-6-4-16(12-20-19)31(28,29)23-9-7-22(2)8-10-23/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,25)