2-(3,4-dichlorophenyl)-4-(diethylamino)-2-methylsulfonyl-butanenitrile hydrochloride

Systemtic Name: 2-(3,4-dichlorophenyl)-4-(diethylamino)-2-methylsulfonyl-butanenitrile hydrochloride Openeye Name: 2-(3,4-dichlorophenyl)-4-(diethylamino)-2-methylsulfonyl-butanenitrile hydrochloride CAS Name: 2-(3,4-dichlorophenyl)-4-(diethylamino)-2-methylsulfonylbutanenitrile hydrochloride IUPAC Name: 2-(3,4-dichlorophenyl)-4-(diethylamino)-2-methylsulfonylbutanenitrile hydrochloride Traditional Name: 2-(3,4-dichlorophenyl)-4-(diethylamino)-2-mesyl-butyronitrile hydrochloride Formula: C15H21Cl3N2O2S MolecularWeight: 399.76344

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C#N)(C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C.Cl

Isomeric SMILES

CCN(CC)CCC(C#N)(C1=CC(=C(C=C1)Cl)Cl)S(=O)(=O)C.Cl

InChI

InChI=1S/C15H20Cl2N2O2S.ClH/c1-4-19(5-2)9-8-15(11-18,22(3,20)21)12-6-7-13(16)14(17)10-12;/h6-7,10H,4-5,8-9H2,1-3H3;1H