N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-chloro-3-(1-piperidylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(4-chloro-3-piperidinosulfonyl-phenyl)-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C19H22ClN3O6S2 MolecularWeight: 487.97748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O6S2/c1-13-10-16(23(24)25)12-18(14(13)2)30(26,27)21-15-6-7-17(20)19(11-15)31(28,29)22-8-4-3-5-9-22/h6-7,10-12,21H,3-5,8-9H2,1-2H3