1-(2H-chromen-6-ylsulfonyl)-2-[(phenylmethyl)carbamoylamino]piperidine-2-carboxylic acid

Systemtic Name: 1-(2H-chromen-6-ylsulfonyl)-2-[(phenylmethyl)carbamoylamino]piperidine-2-carboxylic acid Openeye Name: 2-(benzylcarbamoylamino)-1-(2H-chromen-6-ylsulfonyl)piperidine-2-carboxylic acid CAS Name: 1-(2H-1-benzopyran-6-ylsulfonyl)-2-[[oxo-[(phenylmethyl)amino]methyl]amino]-2-piperidinecarboxylic acid IUPAC Name: 2-(benzylcarbamoylamino)-1-(2H-chromen-6-ylsulfonyl)piperidine-2-carboxylic acid Traditional Name: 2-(benzylcarbamoylamino)-1-(2H-chromen-6-ylsulfonyl)pipecolinic acid Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C(=O)O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCC=C4

Isomeric SMILES

C1CCN(C(C1)(C(=O)O)NC(=O)NCC2=CC=CC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCC=C4

InChI

InChI=1S/C23H25N3O6S/c27-21(28)23(25-22(29)24-16-17-7-2-1-3-8-17)12-4-5-13-26(23)33(30,31)19-10-11-20-18(15-19)9-6-14-32-20/h1-3,6-11,15H,4-5,12-14,16H2,(H,27,28)(H2,24,25,29)