N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(2-thienylmethyl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonyl-1-piperazin-1-iumyl)-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylsulfonylpiperazin-1-ium-1-yl)-N-(thiophen-2-ylmethyl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-mesylpiperazin-1-ium-1-yl)-N-(2-thenyl)acetamide Formula: C20H26N3O5S2+ MolecularWeight: 452.56754

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CS(=O)(=O)N1CC[NH+](CC1)CC(=O)N(CC2=CC=CS2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25N3O5S2/c1-30(25,26)22-8-6-21(7-9-22)15-20(24)23(14-17-3-2-12-29-17)16-4-5-18-19(13-16)28-11-10-27-18/h2-5,12-13H,6-11,14-15H2,1H3/p+1