N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonyl-benzenesulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methyl-1-piperazinyl)sulfonyl]benzenesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzenesulfonamide Traditional Name: 4-(4-methylpiperazino)sulfonyl-N-piperonyl-benzenesulfonamide Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H23N3O6S2/c1-21-8-10-22(11-9-21)30(25,26)17-5-3-16(4-6-17)29(23,24)20-13-15-2-7-18-19(12-15)28-14-27-18/h2-7,12,20H,8-11,13-14H2,1H3