methyl 2,4-dimethyl-5-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C21H28N4O5S2/c1-13-18(21(27)30-5)14(2)23-19(13)20(26)15(3)31-17-7-6-16(12-22-17)32(28,29)25-10-8-24(4)9-11-25/h6-7,12,15,23H,8-11H2,1-5H3