N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide CAS Name: N-[4-[[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[4-(3-thenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C17H21N3O3S2/c1-14(21)18-16-2-4-17(5-3-16)25(22,23)20-9-7-19(8-10-20)12-15-6-11-24-13-15/h2-6,11,13H,7-10,12H2,1H3,(H,18,21)/p+1