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

Systemtic Name: 2,3-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-(4-methyl-3-piperidinosulfonyl-phenyl)-5-nitro-benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=CC(=C2)[N+](=O)[O-])C)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=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/C20H25N3O6S2/c1-14-7-8-17(12-19(14)31(28,29)22-9-5-4-6-10-22)21-30(26,27)20-13-18(23(24)25)11-15(2)16(20)3/h7-8,11-13,21H,4-6,9-10H2,1-3H3