N-[4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)carbonylphenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)-oxomethyl]phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1CC(CN(C1)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C

InChI

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