N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[3-[(2-fluorophenyl)amino]-3-oxidanylidene-propyl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[3-(2-fluoroanilino)-3-oxo-propyl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[3-(2-fluoroanilino)-3-oxopropyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[3-(2-fluoroanilino)-3-keto-propyl]isonipecotamide Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCC(=O)NC2=CC=CC=C2F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24FN3O4S/c22-18-8-4-5-9-19(18)24-20(26)10-13-23-21(27)16-11-14-25(15-12-16)30(28,29)17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H,23,27)(H,24,26)