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

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenyl-ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-phenylethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide Traditional Name: 4-methyl-N-[2-phenyl-2-(4-piperonylpiperazino)ethyl]benzenesulfonamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S/c1-21-7-10-24(11-8-21)35(31,32)28-18-25(23-5-3-2-4-6-23)30-15-13-29(14-16-30)19-22-9-12-26-27(17-22)34-20-33-26/h2-12,17,25,28H,13-16,18-20H2,1H3