(3S)-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]-1-(phenylsulfonyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(benzenesulfonyl)-N-[(1S)-1-benzyl-2-(2-furylmethylamino)-2-oxo-ethyl]piperidine-3-carboxamide CAS Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(2-furanylmethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(benzenesulfonyl)-N-[(2S)-1-(furan-2-ylmethylamino)-1-oxo-3-phenylpropan-2-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-[(1S)-1-benzyl-2-(2-furfurylamino)-2-keto-ethyl]-1-besyl-nipecotamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NCC4=CC=CO4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C26H29N3O5S/c30-25(21-11-7-15-29(19-21)35(32,33)23-13-5-2-6-14-23)28-24(17-20-9-3-1-4-10-20)26(31)27-18-22-12-8-16-34-22/h1-6,8-10,12-14,16,21,24H,7,11,15,17-19H2,(H,27,31)(H,28,30)/t21-,24-/m0/s1