1-(2-methyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]ethanone Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H24N4O3S2/c1-15-21(17-5-3-4-6-18(17)23-15)19(26)14-29-20-8-7-16(13-22-20)30(27,28)25-11-9-24(2)10-12-25/h3-8,13,23H,9-12,14H2,1-2H3