N-(3-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(3-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(3-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H19N3O6S MolecularWeight: 453.46776

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O6S/c26-22(23-17-9-6-10-18(13-17)25(27)28)21-14-24(19-11-4-5-12-20(19)31-21)32(29,30)15-16-7-2-1-3-8-16/h1-13,21H,14-15H2,(H,23,26)