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

Systemtic Name: 4-[3,5-bis(chloranyl)pyridin-4-yl]-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboximidate Openeye Name: 4-(3,5-dichloro-4-pyridyl)-N-(p-tolylsulfonyl)-1,4-diazepane-1-carboximidate CAS Name: 4-(3,5-dichloro-4-pyridinyl)-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboximidate IUPAC Name: 4-(3,5-dichloropyridin-4-yl)-N-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboximidate Traditional Name: 4-(3,5-dichloro-4-pyridyl)-N-tosyl-1,4-diazepane-1-carboximidate Formula: C18H19Cl2N4O3S- MolecularWeight: 442.33946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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