N-[(2-fluorophenyl)carbamoyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(2-fluorophenyl)carbamoyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(2-fluoroanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(2-fluorophenyl)carbamoyl]acetamide Traditional Name: 2-(4-besylpiperazin-1-ium-1-yl)-N-[(2-fluorophenyl)carbamoyl]acetamide Formula: C19H22FN4O4S+ MolecularWeight: 421.465783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21FN4O4S/c20-16-8-4-5-9-17(16)21-19(26)22-18(25)14-23-10-12-24(13-11-23)29(27,28)15-6-2-1-3-7-15/h1-9H,10-14H2,(H2,21,22,25,26)/p+1