(4-chloranyl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (4-chloranyl-3-nitro-phenyl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-chloro-3-nitro-phenyl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(4-chloro-3-nitrophenyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(4-chloro-3-nitrophenyl)methanone Traditional Name: (4-besylpiperazino)-(4-chloro-3-nitro-phenyl)methanone Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16ClN3O5S/c18-15-7-6-13(12-16(15)21(23)24)17(22)19-8-10-20(11-9-19)27(25,26)14-4-2-1-3-5-14/h1-7,12H,8-11H2