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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]-N-methyl-ethanesulfonamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methyl-ethanesulfonamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]-N-methylethanesulfonamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-methylethanesulfonamide Traditional Name: N-methyl-N-[4-(4-piperonylpiperazine-1-carbonyl)phenyl]ethanesulfonamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCS(=O)(=O)N(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O5S/c1-3-31(27,28)23(2)19-7-5-18(6-8-19)22(26)25-12-10-24(11-13-25)15-17-4-9-20-21(14-17)30-16-29-20/h4-9,14H,3,10-13,15-16H2,1-2H3