N,N-diethyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide hydrochloride

Systemtic Name: N,N-diethyl-4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonyl-benzenesulfonamide hydrochloride Openeye Name: N,N-diethyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide hydrochloride CAS Name: N,N-diethyl-4-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]benzenesulfonamide hydrochloride IUPAC Name: N,N-diethyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide hydrochloride Traditional Name: N,N-diethyl-4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide hydrochloride Formula: C21H28ClN3O4S MolecularWeight: 453.98272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O.Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3O.Cl

InChI

InChI=1S/C21H27N3O4S.ClH/c1-3-24(4-2)29(27,28)18-11-9-17(10-12-18)21(26)23-15-13-22(14-16-23)19-7-5-6-8-20(19)25;/h5-12,25H,3-4,13-16H2,1-2H3;1H