[4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-piperidin-1-yl-methanone Openeye Name: [4-(4-bromophenyl)sulfonyl-3-nitro-phenyl]-(1-piperidyl)methanone CAS Name: [4-(4-bromophenyl)sulfonyl-3-nitrophenyl]-(1-piperidinyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfonyl-3-nitrophenyl]-piperidin-1-ylmethanone Traditional Name: (4-brosyl-3-nitro-phenyl)-piperidino-methanone Formula: C18H17BrN2O5S MolecularWeight: 453.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O5S/c19-14-5-7-15(8-6-14)27(25,26)17-9-4-13(12-16(17)21(23)24)18(22)20-10-2-1-3-11-20/h4-9,12H,1-3,10-11H2