2-(6-methyl-1-benzofuran-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide

Systemtic Name: 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]ethanamide Openeye Name: 2-(6-methylbenzofuran-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide CAS Name: 2-(6-methyl-3-benzofuranyl)-N-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]acetamide IUPAC Name: 2-(6-methyl-1-benzofuran-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Traditional Name: 2-(6-methylbenzofuran-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acetamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N3O4S/c1-16-3-8-20-17(15-29-21(20)13-16)14-22(26)23-18-4-6-19(7-5-18)30(27,28)25-11-9-24(2)10-12-25/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,26)/p+1