1-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[2,4-bis(chloranyl)-6-methyl-phenyl]sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-(2,4-dichloro-6-methyl-phenyl)sulfonyl-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-(2,4-dichloro-6-methylphenyl)sulfonyl-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-(2,4-dichloro-6-methylphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-(2,4-dichloro-6-methyl-phenyl)sulfonyl-4-(3-pyridylmethyl)-1,4-diazepane Formula: C18H21Cl2N3O2S MolecularWeight: 414.34924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCCN(CC2)CC3=CN=CC=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O2S/c1-14-10-16(19)11-17(20)18(14)26(24,25)23-7-3-6-22(8-9-23)13-15-4-2-5-21-12-15/h2,4-5,10-12H,3,6-9,13H2,1H3