1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]ethanone Formula: C21H28N4O3S2 MolecularWeight: 448.60202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H28N4O3S2/c1-15-12-19(16(2)25(15)17-4-5-17)20(26)14-29-21-7-6-18(13-22-21)30(27,28)24-10-8-23(3)9-11-24/h6-7,12-13,17H,4-5,8-11,14H2,1-3H3