2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: N-(isopropylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: N-(isopropylcarbamoyl)-2-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N4O4S/c1-15(2)21-20(26)22-19(25)14-23-9-11-24(12-10-23)29(27,28)18-8-7-16-5-3-4-6-17(16)13-18/h3-8,13,15H,9-12,14H2,1-2H3,(H2,21,22,25,26)/p+1