N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethanoylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 3-(4-acetylpiperazin-1-yl)sulfonyl-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 3-(4-acetylpiperazino)sulfonyl-N-piperonyl-benzamide Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O6S/c1-15(25)23-7-9-24(10-8-23)31(27,28)18-4-2-3-17(12-18)21(26)22-13-16-5-6-19-20(11-16)30-14-29-19/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)