2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(isopropylcarbamoyl)acetamide CAS Name: N-[oxo-(propan-2-ylamino)methyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-N-(isopropylcarbamoyl)acetamide Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H26N4O4S/c1-14(2)18-17(23)19-16(22)12-20-8-10-21(11-9-20)26(24,25)13-15-6-4-3-5-7-15/h3-7,14H,8-13H2,1-2H3,(H2,18,19,22,23)/p+1