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

Systemtic Name: N-[4-methoxy-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]ethanamide Openeye Name: N-[4-methoxy-3-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide CAS Name: N-[4-methoxy-3-[[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-methoxy-3-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-methoxy-3-[4-(2-thenyl)piperazin-4-ium-1-yl]sulfonyl-phenyl]acetamide Formula: C18H24N3O4S2+ MolecularWeight: 410.53086

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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=CC=CS3

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23N3O4S2/c1-14(22)19-15-5-6-17(25-2)18(12-15)27(23,24)21-9-7-20(8-10-21)13-16-4-3-11-26-16/h3-6,11-12H,7-10,13H2,1-2H3,(H,19,22)/p+1