2-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C18H23N4O4S2+ MolecularWeight: 423.52962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C18H22N4O4S2/c1-13-6-7-17(27-13)28(25,26)22-10-8-21(9-11-22)12-16(23)20-15-5-3-2-4-14(15)18(19)24/h2-7H,8-12H2,1H3,(H2,19,24)(H,20,23)/p+1