N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C21H24FN4O4S2+ MolecularWeight: 479.568063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C21H23FN4O4S2/c1-2-30-16-6-7-18-19(13-16)31-21(23-18)24-20(27)14-25-8-10-26(11-9-25)32(28,29)17-5-3-4-15(22)12-17/h3-7,12-13H,2,8-11,14H2,1H3,(H,23,24,27)/p+1