3-(1-methylpyrrolidin-2-yl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide hydrochloride

Systemtic Name: 3-(1-methylpyrrolidin-2-yl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide hydrochloride Openeye Name: 3-(1-methylpyrrolidin-2-yl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide hydrochloride CAS Name: 3-(1-methyl-2-pyrrolidinyl)-4-[4-(methylthio)phenoxy]benzenesulfonamide hydrochloride IUPAC Name: 3-(1-methylpyrrolidin-2-yl)-4-(4-methylsulfanylphenoxy)benzenesulfonamide hydrochloride Traditional Name: 3-(1-methylpyrrolidin-2-yl)-4-[4-(methylthio)phenoxy]benzenesulfonamide hydrochloride Formula: C18H23ClN2O3S2 MolecularWeight: 414.96982

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C(C=CC(=C2)S(=O)(=O)N)OC3=CC=C(C=C3)SC.Cl

Isomeric SMILES

CN1CCCC1C2=C(C=CC(=C2)S(=O)(=O)N)OC3=CC=C(C=C3)SC.Cl

InChI

InChI=1S/C18H22N2O3S2.ClH/c1-20-11-3-4-17(20)16-12-15(25(19,21)22)9-10-18(16)23-13-5-7-14(24-2)8-6-13;/h5-10,12,17H,3-4,11H2,1-2H3,(H2,19,21,22);1H