3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]benzenesulfonamide hydrochloride

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-N-[2-chloranyl-5-(trifluoromethyl)phenyl]benzenesulfonamide hydrochloride Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide hydrochloride CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide hydrochloride IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamide hydrochloride Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-piperonylpiperazine-1-carbonyl)benzenesulfonamide hydrochloride Formula: C26H24Cl2F3N3O5S MolecularWeight: 618.45207

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC(=CC=C4)S(=O)(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl.Cl

InChI

InChI=1S/C26H23ClF3N3O5S.ClH/c27-21-6-5-19(26(28,29)30)14-22(21)31-39(35,36)20-3-1-2-18(13-20)25(34)33-10-8-32(9-11-33)15-17-4-7-23-24(12-17)38-16-37-23;/h1-7,12-14,31H,8-11,15-16H2;1H