N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,4-dimethyl-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)-2-nitrophenyl]-2,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)-2-nitrophenyl]-2,4-dimethylbenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)-2-nitro-phenyl]-2,4-dimethyl-benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H25N3O6S2/c1-15-7-10-20(16(2)13-15)30(26,27)21-18-9-8-17(14-19(18)23(24)25)31(28,29)22-11-5-3-4-6-12-22/h7-10,13-14,21H,3-6,11-12H2,1-2H3