(2S)-N-[(2S)-1-[4-(dimethylamino)butylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1-(3-fluorophenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-[4-(dimethylamino)butylamino]-3-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl]-1-(3-fluorophenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-[4-(dimethylamino)butylamino]-1-[(4-fluorophenyl)methyl]-2-oxo-ethyl]-1-(3-fluorophenyl)sulfonyl-piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-[4-(dimethylamino)butylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(3-fluorophenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-[4-(dimethylamino)butylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-(3-fluorophenyl)sulfonylpiperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-[4-(dimethylamino)butylamino]-1-(4-fluorobenzyl)-2-keto-ethyl]-1-(3-fluorophenyl)sulfonyl-pipecolinamide Formula: C27H36F2N4O4S MolecularWeight: 550.660946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCNC(=O)C(CC1=CC=C(C=C1)F)NC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CN(C)CCCCNC(=O)[C@H](CC1=CC=C(C=C1)F)NC(=O)[C@@H]2CCCCN2S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C27H36F2N4O4S/c1-32(2)16-6-4-15-30-26(34)24(18-20-11-13-21(28)14-12-20)31-27(35)25-10-3-5-17-33(25)38(36,37)23-9-7-8-22(29)19-23/h7-9,11-14,19,24-25H,3-6,10,15-18H2,1-2H3,(H,30,34)(H,31,35)/t24-,25-/m0/s1