2-fluoranyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzenesulfonamide

Systemtic Name: 2-fluoranyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzenesulfonamide Openeye Name: N-[(1S)-1-benzyl-2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-2-fluoro-benzenesulfonamide CAS Name: 2-fluoro-N-[(2S)-1-oxo-3-phenyl-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]propan-2-yl]benzenesulfonamide IUPAC Name: N-[(2S)-1-(4-benzyl-1,4-diazepan-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-fluorobenzenesulfonamide Traditional Name: N-[(1S)-1-benzyl-2-(4-benzyl-1,4-diazepan-1-yl)-2-keto-ethyl]-2-fluoro-benzenesulfonamide Formula: C27H30FN3O3S MolecularWeight: 495.608803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F)CC4=CC=CC=C4

InChI

InChI=1S/C27H30FN3O3S/c28-24-14-7-8-15-26(24)35(33,34)29-25(20-22-10-3-1-4-11-22)27(32)31-17-9-16-30(18-19-31)21-23-12-5-2-6-13-23/h1-8,10-15,25,29H,9,16-21H2/t25-/m0/s1