[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]-phenyl-methanone CAS Name: [4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]-phenylmethanone Traditional Name: [4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-phenyl-methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19N3O5S/c1-14-7-8-16(21(23)24)13-17(14)27(25,26)20-11-9-19(10-12-20)18(22)15-5-3-2-4-6-15/h2-8,13H,9-12H2,1H3