2-(naphthalen-2-ylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide

Systemtic Name: 2-(naphthalen-2-ylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Openeye Name: 2-(2-naphthylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide CAS Name: 2-(2-naphthalenylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide IUPAC Name: 2-(naphthalen-2-ylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Traditional Name: 2-(2-naphthylsulfonylamino)-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Formula: C23H22N4O4S3 MolecularWeight: 514.64018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C23H22N4O4S3/c28-33(29,26-22-8-2-1-5-13-24-22)19-11-12-21-20(15-19)25-23(32-21)27-34(30,31)18-10-9-16-6-3-4-7-17(16)14-18/h3-4,6-7,9-12,14-15H,1-2,5,8,13H2,(H,24,26)(H,25,27)