N-(3-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]acetamide CAS Name: N-[3-(methylthio)phenyl]-2-[4-(thiophen-2-ylsulfonylamino)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[3-(methylthio)phenyl]-2-[4-(2-thienylsulfonylamino)piperidin-1-ium-1-yl]acetamide Formula: C18H24N3O3S3+ MolecularWeight: 426.59646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C[NH+]2CCC(CC2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H23N3O3S3/c1-25-16-5-2-4-15(12-16)19-17(22)13-21-9-7-14(8-10-21)20-27(23,24)18-6-3-11-26-18/h2-6,11-12,14,20H,7-10,13H2,1H3,(H,19,22)/p+1