N3-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Formula: C18H22N4O6S3 MolecularWeight: 486.58548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C18H22N4O6S3/c19-29(23,24)16-5-4-6-17(13-16)31(27,28)21-14-8-10-15(11-9-14)30(25,26)22-18-7-2-1-3-12-20-18/h4-6,8-11,13,21H,1-3,7,12H2,(H,20,22)(H2,19,23,24)