N-[4-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(azepan-1-ylcarbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-[1-azepanyl(oxo)methyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-(azepane-1-carbonyl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15-6-11-18(14-19(15)23(25)26)29(27,28)21-17-9-7-16(8-10-17)20(24)22-12-4-2-3-5-13-22/h6-11,14,21H,2-5,12-13H2,1H3