(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxidanylidene-3-(propan-2-ylamino)propyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxidanylidene-3-(propan-2-ylamino)propyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(isopropylamino)-3-oxo-propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(isopropylamino)-3-keto-propyl]nipecotamide Formula: C18H26FN3O4S MolecularWeight: 399.480143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CCNC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)NC(=O)CCNC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O4S/c1-13(2)21-17(23)9-10-20-18(24)14-4-3-11-22(12-14)27(25,26)16-7-5-15(19)6-8-16/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,20,24)(H,21,23)/t14-/m0/s1