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

Systemtic Name: 2,5-dimethyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]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)C)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S2/c1-14-6-7-16(3)20(11-14)30(26,27)21-18-9-8-17(12-19(18)23(24)25)31(28,29)22-10-4-5-15(2)13-22/h6-9,11-12,15,21H,4-5,10,13H2,1-3H3/t15-/m1/s1