N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2,3-dimethyl-5-nitro-benzenesulfonamide Formula: C20H25N3O6S2 MolecularWeight: 467.559

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

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