3-butoxy-5-(dimethylaminomethyl)-2-(phenylmethyl)benzenesulfonyl chloride hydrochloride

Systemtic Name: 3-butoxy-5-(dimethylaminomethyl)-2-(phenylmethyl)benzenesulfonyl chloride hydrochloride Openeye Name: 2-benzyl-3-butoxy-5-(dimethylaminomethyl)benzenesulfonyl chloride hydrochloride CAS Name: 3-butoxy-5-(dimethylaminomethyl)-2-(phenylmethyl)benzenesulfonyl chloride hydrochloride IUPAC Name: 2-benzyl-3-butoxy-5-(dimethylaminomethyl)benzenesulfonyl chloride hydrochloride Traditional Name: 2-benzyl-3-butoxy-5-(dimethylaminomethyl)benzenesulfonyl chloride hydrochloride Formula: C20H27Cl2NO3S MolecularWeight: 432.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=CC(=C1)CN(C)C)S(=O)(=O)Cl)CC2=CC=CC=C2.Cl

Isomeric SMILES

CCCCOC1=C(C(=CC(=C1)CN(C)C)S(=O)(=O)Cl)CC2=CC=CC=C2.Cl

InChI

InChI=1S/C20H26ClNO3S.ClH/c1-4-5-11-25-19-13-17(15-22(2)3)14-20(26(21,23)24)18(19)12-16-9-7-6-8-10-16;/h6-10,13-14H,4-5,11-12,15H2,1-3H3;1H