4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-1-ium-4-yl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: 4-(3,5-dichloro-4-pyridin-1-iumyl)-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3,5-dichloropyridin-1-ium-4-yl)-N-tosyl-1,4-diazepane-1-carboxamide Formula: C18H21Cl2N4O3S+ MolecularWeight: 444.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2CCCN(CC2)C3=C(C=[NH+]C=C3Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O3S/c1-13-3-5-14(6-4-13)28(26,27)22-18(25)24-8-2-7-23(9-10-24)17-15(19)11-21-12-16(17)20/h3-6,11-12H,2,7-10H2,1H3,(H,22,25)/p+1