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

Systemtic Name: 2-azanyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Openeye Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide CAS Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide IUPAC Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Traditional Name: 2-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-benzothiazole-5-sulfonamide Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)N

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC3=C(C=C2)SC(=N3)N

InChI

InChI=1S/C13H16N4O2S2/c14-13-16-10-8-9(5-6-11(10)20-13)21(18,19)17-12-4-2-1-3-7-15-12/h5-6,8H,1-4,7H2,(H2,14,16)(H,15,17)