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

Systemtic Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(3,5-dimethylpiperidino)sulfonylphenyl]-2-nitro-benzenesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S2/c1-14-11-15(2)13-21(12-14)30(27,28)17-9-7-16(8-10-17)20-29(25,26)19-6-4-3-5-18(19)22(23)24/h3-10,14-15,20H,11-13H2,1-2H3