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

Systemtic Name: 1-(2-chloranyl-6-methyl-phenyl)sulfonyl-4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-chloro-6-methyl-phenyl)sulfonyl-4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane CAS Name: 1-(2-chloro-6-methylphenyl)sulfonyl-4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2-chloro-6-methylphenyl)sulfonyl-4-[(3,4-dichlorophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-chloro-6-methyl-phenyl)sulfonyl-4-(3,4-dichlorobenzyl)-1,4-diazepane Formula: C19H21Cl3N2O2S MolecularWeight: 447.80624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)S(=O)(=O)N2CCCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H21Cl3N2O2S/c1-14-4-2-5-17(21)19(14)27(25,26)24-9-3-8-23(10-11-24)13-15-6-7-16(20)18(22)12-15/h2,4-7,12H,3,8-11,13H2,1H3