1-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane

Systemtic Name: 1-[2,4-bis(chloranyl)-5-methyl-phenyl]sulfonyl-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-(2,4-dichloro-5-methyl-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-(2,4-dichloro-5-methylphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-(2,4-dichloro-5-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-benzyl-4-(2,4-dichloro-5-methyl-phenyl)sulfonyl-1,4-diazepane Formula: C19H22Cl2N2O2S MolecularWeight: 413.36118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22Cl2N2O2S/c1-15-12-19(18(21)13-17(15)20)26(24,25)23-9-5-8-22(10-11-23)14-16-6-3-2-4-7-16/h2-4,6-7,12-13H,5,8-11,14H2,1H3