N-cyclopropyl-2-[4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[4-[methyl(2-thienylsulfonyl)amino]butanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[4-[methyl(thiophen-2-ylsulfonyl)amino]-1-oxobutyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-[4-[methyl(thiophen-2-ylsulfonyl)amino]butanoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[4-[methyl(2-thienylsulfonyl)amino]butanoyl]piperazin-1-ium-1-yl]acetamide Formula: C18H29N4O4S2+ MolecularWeight: 429.57726

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CC[NH+](CC1)CC(=O)NC2CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)N1CC[NH+](CC1)CC(=O)NC2CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H28N4O4S2/c1-20(28(25,26)18-5-3-13-27-18)8-2-4-17(24)22-11-9-21(10-12-22)14-16(23)19-15-6-7-15/h3,5,13,15H,2,4,6-12,14H2,1H3,(H,19,23)/p+1