2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]-N-[oxo-(propan-2-ylamino)methyl]acetamide IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(propan-2-ylcarbamoyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]-N-(isopropylcarbamoyl)acetamide Formula: C14H22ClN4O4S2+ MolecularWeight: 409.93188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(C)NC(=O)NC(=O)C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H21ClN4O4S2/c1-10(2)16-14(21)17-12(20)9-18-5-7-19(8-6-18)25(22,23)13-4-3-11(15)24-13/h3-4,10H,5-9H2,1-2H3,(H2,16,17,20,21)/p+1