2-bromanyl-6-(phenylsulfonyl)naphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride

Systemtic Name: 2-bromanyl-6-(phenylsulfonyl)naphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride Openeye Name: 2-(benzenesulfonyl)-6-bromo-naphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride CAS Name: 2-(benzenesulfonyl)-6-bromonaphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride IUPAC Name: 2-(benzenesulfonyl)-6-bromonaphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride Traditional Name: 2-besyl-6-bromo-naphthalene; 1-sulfonylpiperazin-1-ium; hydrochloride Formula: C20H21BrClN2O4S2+ MolecularWeight: 532.87874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1.C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br.Cl

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1.C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Br.Cl

InChI

InChI=1S/C16H11BrO2S.C4H9N2O2S.ClH/c17-14-8-6-13-11-16(9-7-12(13)10-14)20(18,19)15-4-2-1-3-5-15;7-9(8)6-3-1-5-2-4-6;/h1-11H;5H,1-4H2;1H/q;+1;