[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-nitro-3-oxidanyl-phenyl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-hydroxy-4-nitro-phenyl)methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-(3-hydroxy-4-nitrophenyl)methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(3-hydroxy-4-nitrophenyl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-(3-hydroxy-4-nitro-phenyl)methanone Formula: C17H24N4O6S MolecularWeight: 412.46066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H24N4O6S/c22-16-13-14(5-6-15(16)21(24)25)17(23)18-9-11-20(12-10-18)28(26,27)19-7-3-1-2-4-8-19/h5-6,13,22H,1-4,7-12H2