N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]acetamide CAS Name: N-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-4-methoxyphenyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxyphenyl]acetamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]acetamide Formula: C21H25N4O4S2+ MolecularWeight: 461.5776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O4S2/c1-15(26)22-16-7-8-18(29-2)20(13-16)31(27,28)25-11-9-24(10-12-25)14-21-23-17-5-3-4-6-19(17)30-21/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+1