3-[(4-bromophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide

Systemtic Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Openeye Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide CAS Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide IUPAC Name: 3-[(4-bromophenyl)sulfonylamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Traditional Name: 3-(brosylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H20BrN3O4S2/c19-14-8-10-16(11-9-14)27(23,24)21-15-5-4-6-17(13-15)28(25,26)22-18-7-2-1-3-12-20-18/h4-6,8-11,13,21H,1-3,7,12H2,(H,20,22)