N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-[[(2R,6R)-2,6-dimethyl-1-piperidinyl]-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-[(2R,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-3-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N3O5S/c1-14-7-5-8-15(2)22(14)20(24)18-11-3-4-12-19(18)21-29(27,28)17-10-6-9-16(13-17)23(25)26/h3-4,6,9-15,21H,5,7-8H2,1-2H3/t14-,15-/m1/s1