1-(5-nitro-2,3-dihydroindol-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(5-nitroindolin-1-yl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(5-nitro-2,3-dihydroindol-1-yl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(5-nitroindolin-1-yl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C19H20N4O5S2 MolecularWeight: 448.5159

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCC4=C3C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S2/c24-19(22-10-7-14-11-15(23(25)26)3-5-17(14)22)13-29-18-6-4-16(12-20-18)30(27,28)21-8-1-2-9-21/h3-6,11-12H,1-2,7-10,13H2