2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C19H22N4O6S2 MolecularWeight: 466.53118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C19H22N4O6S2/c1-14-6-9-16(23(24)25)13-18(14)31(28,29)21-15-7-10-17(11-8-15)30(26,27)22-19-5-3-2-4-12-20-19/h6-11,13,21H,2-5,12H2,1H3,(H,20,22)