N-(2-chloranyl-5-nitro-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-chloro-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-chloro-5-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(2-chloro-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H18ClN3O6S MolecularWeight: 487.91282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN3O6S/c23-17-11-10-16(26(28)29)12-18(17)24-22(27)21-13-25(19-8-4-5-9-20(19)32-21)33(30,31)14-15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,24,27)