N-aminocarbonyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide IUPAC Name: N-carbamoyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]propionamide Formula: C15H22FN4O4S+ MolecularWeight: 373.422983

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCC(=O)NC(=O)N

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)F)CCC(=O)NC(=O)N

InChI

InChI=1S/C15H21FN4O4S/c16-12-2-4-13(5-3-12)25(23,24)20-8-1-7-19(10-11-20)9-6-14(21)18-15(17)22/h2-5H,1,6-11H2,(H3,17,18,21,22)/p+1