3-[2-chloranyl-4-(4-methylphenyl)sulfonyl-phenoxy]propan-1-ol; propan-2-amine; hydrochloride

Systemtic Name: 3-[2-chloranyl-4-(4-methylphenyl)sulfonyl-phenoxy]propan-1-ol; propan-2-amine; hydrochloride Openeye Name: 3-[2-chloro-4-(p-tolylsulfonyl)phenoxy]propan-1-ol; propan-2-amine; hydrochloride CAS Name: 3-[2-chloro-4-(4-methylphenyl)sulfonylphenoxy]-1-propanol; 2-propanamine; hydrochloride IUPAC Name: 3-[2-chloro-4-(4-methylphenyl)sulfonylphenoxy]propan-1-ol; propan-2-amine; hydrochloride Traditional Name: 3-(2-chloro-4-tosyl-phenoxy)propan-1-ol; isopropylamine; hydrochloride Formula: C19H27Cl2NO4S MolecularWeight: 436.39298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCO)Cl.CC(C)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)OCCCO)Cl.CC(C)N.Cl

InChI

InChI=1S/C16H17ClO4S.C3H9N.ClH/c1-12-3-5-13(6-4-12)22(19,20)14-7-8-16(15(17)11-14)21-10-2-9-18;1-3(2)4;/h3-8,11,18H,2,9-10H2,1H3;3H,4H2,1-2H3;1H