1-(4-chlorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane CAS Name: 1-(4-chlorophenyl)sulfonyl-4-(5-nitro-2-pyridin-1-iumyl)-1,4-diazepane IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(5-nitropyridin-1-ium-2-yl)-1,4-diazepane Formula: C16H18ClN4O4S+ MolecularWeight: 397.85652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)C3=[NH+]C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN4O4S/c17-13-2-5-15(6-3-13)26(24,25)20-9-1-8-19(10-11-20)16-7-4-14(12-18-16)21(22)23/h2-7,12H,1,8-11H2/p+1