N-(2-methylsulfanylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(2-methylsulfanylphenyl)-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-[2-(methylthio)phenyl]-3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(2-methylsulfanylphenyl)-3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[2-(methylthio)phenyl]-3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionamide Formula: C18H24N3O3S3+ MolecularWeight: 426.59646

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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