N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-1-(4-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(cyclopropylamino)-2-oxoethyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(cyclopropylamino)-2-keto-ethyl]-1-(4-fluorophenyl)sulfonyl-isonipecotamide Formula: C17H22FN3O4S MolecularWeight: 383.437683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H22FN3O4S/c18-13-1-5-15(6-2-13)26(24,25)21-9-7-12(8-10-21)17(23)19-11-16(22)20-14-3-4-14/h1-2,5-6,12,14H,3-4,7-11H2,(H,19,23)(H,20,22)