(2S)-1-(1H-indol-3-yl)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

C[C@@H](C(=O)C1=CNC2=CC=CC=C21)SC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C21H24N4O3S2/c1-15(21(26)18-14-22-19-6-4-3-5-17(18)19)29-20-8-7-16(13-23-20)30(27,28)25-11-9-24(2)10-12-25/h3-8,13-15,22H,9-12H2,1-2H3/t15-/m0/s1