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

Systemtic Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(2-methylindolin-1-yl)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]ethanone IUPAC Name: 1-(2-methyl-2,3-dihydroindol-1-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylethanone Traditional Name: 1-(2-methylindolin-1-yl)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]ethanone Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H26N4O3S2/c1-16-13-17-5-3-4-6-19(17)25(16)21(26)15-29-20-8-7-18(14-22-20)30(27,28)24-11-9-23(2)10-12-24/h3-8,14,16H,9-13,15H2,1-2H3