(2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-methoxyphenyl)sulfonyl-piperidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(3-methoxyphenyl)sulfonyl-piperidine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-1-(3-methoxyphenyl)sulfonyl-piperidine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-methoxyphenyl)sulfonyl-2-piperidinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(3-methoxyphenyl)sulfonylpiperidine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-1-(3-methoxyphenyl)sulfonyl-pipecolinamide Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-30-17-10-7-11-18(15-17)31(28,29)25-13-6-5-12-20(25)22(27)24-19(21(23)26)14-16-8-3-2-4-9-16/h2-4,7-11,15,19-20H,5-6,12-14H2,1H3,(H2,23,26)(H,24,27)/t19-,20-/m0/s1