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

Systemtic Name: (2R)-4-(phenylmethyl)sulfonyl-N-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-benzylsulfonyl-N-(3-pyridyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-(phenylmethyl)sulfonyl-N-(3-pyridinyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-benzylsulfonyl-N-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-benzylsulfonyl-N-(3-pyridyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H19N3O4S/c25-21(23-17-9-6-12-22-13-17)20-14-24(18-10-4-5-11-19(18)28-20)29(26,27)15-16-7-2-1-3-8-16/h1-13,20H,14-15H2,(H,23,25)/t20-/m1/s1