2-[(4-bromophenyl)sulfonylamino]-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-N-(3-chloranyl-4-methyl-phenyl)-4-methylsulfanyl-butanamide Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-methyl-phenyl)-4-methylsulfanyl-butanamide CAS Name: 2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)-4-(methylthio)butanamide IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-methylphenyl)-4-methylsulfanylbutanamide Traditional Name: 2-(brosylamino)-N-(3-chloro-4-methyl-phenyl)-4-(methylthio)butyramide Formula: C18H20BrClN2O3S2 MolecularWeight: 491.85

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC=C(C=C2)Br)Cl

InChI

InChI=1S/C18H20BrClN2O3S2/c1-12-3-6-14(11-16(12)20)21-18(23)17(9-10-26-2)22-27(24,25)15-7-4-13(19)5-8-15/h3-8,11,17,22H,9-10H2,1-2H3,(H,21,23)