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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-2-chloranyl-phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chloro-phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-chlorophenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-chlorophenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-chloro-4-(4-piperonylpiperazine-1-carbonyl)phenyl]-4-methyl-benzenesulfonamide Formula: C26H26ClN3O5S MolecularWeight: 528.01974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C26H26ClN3O5S/c1-18-2-6-21(7-3-18)36(32,33)28-23-8-5-20(15-22(23)27)26(31)30-12-10-29(11-13-30)16-19-4-9-24-25(14-19)35-17-34-24/h2-9,14-15,28H,10-13,16-17H2,1H3