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

Systemtic Name: 1-[3,5-bis(chloranyl)pyridin-4-yl]-4-(3-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-(3,5-dichloro-4-pyridyl)-4-(m-tolylsulfonyl)-1,4-diazepane CAS Name: 1-(3,5-dichloro-4-pyridinyl)-4-(3-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-(3,5-dichloropyridin-4-yl)-4-(3-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(3,5-dichloro-4-pyridyl)-4-(m-tolylsulfonyl)-1,4-diazepane Formula: C17H19Cl2N3O2S MolecularWeight: 400.32266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=NC=C3Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=NC=C3Cl)Cl

InChI

InChI=1S/C17H19Cl2N3O2S/c1-13-4-2-5-14(10-13)25(23,24)22-7-3-6-21(8-9-22)17-15(18)11-20-12-16(17)19/h2,4-5,10-12H,3,6-9H2,1H3