N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-ethoxy-3-piperidinosulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H27N3O7S2/c1-4-31-19-9-8-17(13-21(19)33(29,30)23-10-6-5-7-11-23)22-32(27,28)20-14-18(24(25)26)12-15(2)16(20)3/h8-9,12-14,22H,4-7,10-11H2,1-3H3