[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Openeye Name: (2-isopropylsulfanyl-3-pyridyl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(2-nitrophenyl)sulfonyl-1-piperazinyl]-[2-(propan-2-ylthio)-3-pyridinyl]methanone IUPAC Name: [4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(2-propan-2-ylsulfanylpyridin-3-yl)methanone Traditional Name: [2-(isopropylthio)-3-pyridyl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)SC1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5S2/c1-14(2)29-18-15(6-5-9-20-18)19(24)21-10-12-22(13-11-21)30(27,28)17-8-4-3-7-16(17)23(25)26/h3-9,14H,10-13H2,1-2H3