[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone Openeye Name: [4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-(2-isopropylsulfonylphenyl)methanone CAS Name: [4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-(2-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-(2-propan-2-ylsulfonylphenyl)methanone Traditional Name: [4-(4-chloro-2-nitro-phenyl)piperazino]-(2-isopropylsulfonylphenyl)methanone Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O5S/c1-14(2)30(28,29)19-6-4-3-5-16(19)20(25)23-11-9-22(10-12-23)17-8-7-15(21)13-18(17)24(26)27/h3-8,13-14H,9-12H2,1-2H3