N-(2-methylsulfanylphenyl)-4-piperazin-1-yl-naphthalene-1-sulfonamide hydrochloride

Systemtic Name: N-(2-methylsulfanylphenyl)-4-piperazin-1-yl-naphthalene-1-sulfonamide hydrochloride Openeye Name: N-(2-methylsulfanylphenyl)-4-piperazin-1-yl-naphthalene-1-sulfonamide hydrochloride CAS Name: N-[2-(methylthio)phenyl]-4-(1-piperazinyl)-1-naphthalenesulfonamide hydrochloride IUPAC Name: N-(2-methylsulfanylphenyl)-4-piperazin-1-ylnaphthalene-1-sulfonamide hydrochloride Traditional Name: N-[2-(methylthio)phenyl]-4-piperazino-naphthalene-1-sulfonamide hydrochloride Formula: C21H24ClN3O2S2 MolecularWeight: 450.01716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)N4CCNCC4.Cl

Isomeric SMILES

CSC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C3=CC=CC=C32)N4CCNCC4.Cl

InChI

InChI=1S/C21H23N3O2S2.ClH/c1-27-20-9-5-4-8-18(20)23-28(25,26)21-11-10-19(24-14-12-22-13-15-24)16-6-2-3-7-17(16)21;/h2-11,22-23H,12-15H2,1H3;1H