N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(2-thienyl)butanamide CAS Name: N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]-4-(2-thienyl)butyramide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H27N3O3S2/c1-2-22-12-14-23(15-13-22)28(25,26)19-10-8-17(9-11-19)21-20(24)7-3-5-18-6-4-16-27-18/h4,6,8-11,16H,2-3,5,7,12-15H2,1H3,(H,21,24)/p+1