2,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[4-[(3-methyl-1-piperidyl)sulfonyl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[4-[(3-methyl-1-piperidinyl)sulfonyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[4-(3-methylpiperidino)sulfonylphenyl]-5-nitro-benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C(=CC(=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C20H25N3O6S2/c1-14-5-4-10-22(13-14)31(28,29)19-8-6-17(7-9-19)21-30(26,27)20-12-18(23(24)25)11-15(2)16(20)3/h6-9,11-12,14,21H,4-5,10,13H2,1-3H3