N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide Traditional Name: N-cyclopentyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-piperonyl-benzamide Formula: C25H32N3O5S+ MolecularWeight: 486.60368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5CCCC5

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N(CC3=CC4=C(C=C3)OCO4)C5CCCC5

InChI

InChI=1S/C25H31N3O5S/c1-26-11-13-27(14-12-26)34(30,31)22-8-4-5-20(16-22)25(29)28(21-6-2-3-7-21)17-19-9-10-23-24(15-19)33-18-32-23/h4-5,8-10,15-16,21H,2-3,6-7,11-14,17-18H2,1H3/p+1