N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

Systemtic Name: N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-3-nitro-4-oxidanyl-benzenesulfonamide Openeye Name: 4-hydroxy-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-hydroxy-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-hydroxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzenesulfonamide Traditional Name: 4-hydroxy-N-(4-methoxy-3-piperidinosulfonyl-phenyl)-3-nitro-benzenesulfonamide Formula: C18H21N3O8S2 MolecularWeight: 471.50464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H21N3O8S2/c1-29-17-8-5-13(11-18(17)31(27,28)20-9-3-2-4-10-20)19-30(25,26)14-6-7-16(22)15(12-14)21(23)24/h5-8,11-12,19,22H,2-4,9-10H2,1H3