(2R)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]-1-pyrrolidino-propan-1-one Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)SC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C

InChI

InChI=1S/C17H26N4O3S2/c1-14(17(22)20-7-3-4-8-20)25-16-6-5-15(13-18-16)26(23,24)21-11-9-19(2)10-12-21/h5-6,13-14H,3-4,7-12H2,1-2H3/t14-/m1/s1