4-chloranyl-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide

Systemtic Name: 4-chloranyl-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide CAS Name: 4-chloro-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide IUPAC Name: 4-chloro-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzenesulfonamide Formula: C12H15ClN3O4S+ MolecularWeight: 332.7832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN3O4S/c13-10-6-5-9(8-11(10)16(17)18)21(19,20)15-12-4-2-1-3-7-14-12/h5-6,8H,1-4,7H2,(H,14,15)/p+1