N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-ylcarbonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[1-azepanyl(oxo)methyl]phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C20H23N3O5S/c1-15-10-11-16(23(25)26)14-19(15)29(27,28)21-18-9-5-4-8-17(18)20(24)22-12-6-2-3-7-13-22/h4-5,8-11,14,21H,2-3,6-7,12-13H2,1H3