5-(4-nitrophenyl)sulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 5-(4-nitrophenyl)sulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-3-ium-2-amine Openeye Name: 5-(4-nitrophenyl)sulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)thiazol-3-ium-2-amine CAS Name: 5-(4-nitrophenyl)sulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-2-thiazol-3-iumamine IUPAC Name: 5-(4-nitrophenyl)sulfonyl-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,3-thiazol-3-ium-2-amine Traditional Name: (5-nosylthiazol-3-ium-2-yl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine Formula: C15H17N4O4S2+ MolecularWeight: 381.44988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NC2=[NH+]C=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NC2=[NH+]C=C(S2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S2/c20-19(21)11-5-7-12(8-6-11)25(22,23)14-10-17-15(24-14)18-13-4-2-1-3-9-16-13/h5-8,10H,1-4,9H2,(H,16,17,18)/p+1