N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-4-methyl-benzenesulfonamide Openeye Name: N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-4-methyl-benzenesulfonamide CAS Name: N-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-4-methylbenzenesulfonamide IUPAC Name: N-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[4-(4-piperonylpiperazine-1-carbonyl)benzyl]benzenesulfonamide Formula: C27H29N3O5S MolecularWeight: 507.60126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H29N3O5S/c1-20-2-9-24(10-3-20)36(32,33)28-17-21-4-7-23(8-5-21)27(31)30-14-12-29(13-15-30)18-22-6-11-25-26(16-22)35-19-34-25/h2-11,16,28H,12-15,17-19H2,1H3