N-(2,4-dimethylphenyl)-3-nitro-4-piperidin-1-yl-benzenesulfonamide

Systemtic Name: N-(2,4-dimethylphenyl)-3-nitro-4-piperidin-1-yl-benzenesulfonamide Openeye Name: N-(2,4-dimethylphenyl)-3-nitro-4-(1-piperidyl)benzenesulfonamide CAS Name: N-(2,4-dimethylphenyl)-3-nitro-4-(1-piperidinyl)benzenesulfonamide IUPAC Name: N-(2,4-dimethylphenyl)-3-nitro-4-piperidin-1-ylbenzenesulfonamide Traditional Name: N-(2,4-dimethylphenyl)-3-nitro-4-piperidino-benzenesulfonamide Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C19H23N3O4S/c1-14-6-8-17(15(2)12-14)20-27(25,26)16-7-9-18(19(13-16)22(23)24)21-10-4-3-5-11-21/h6-9,12-13,20H,3-5,10-11H2,1-2H3