(2R)-4-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(phenylmethyl)sulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-benzylsulfonyl-N-(2-pyridylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-(phenylmethyl)sulfonyl-N-(2-pyridinylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-benzylsulfonyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-benzylsulfonyl-N-(2-pyridylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C22H21N3O4S/c26-22(24-14-18-10-6-7-13-23-18)21-15-25(19-11-4-5-12-20(19)29-21)30(27,28)16-17-8-2-1-3-9-17/h1-13,21H,14-16H2,(H,24,26)/t21-/m1/s1