N-(3-methylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-methylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3-methylsulfonylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3-methylsulfonylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3-mesylphenyl)-2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C17H22N3O5S3+ MolecularWeight: 444.56868

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H21N3O5S3/c1-27(22,23)15-5-2-4-14(12-15)18-16(21)13-19-7-9-20(10-8-19)28(24,25)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3,(H,18,21)/p+1