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

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-methyl-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(2-methyl-5-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-methyl-5-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(2-methyl-5-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21N3O6S/c1-16-11-12-18(26(28)29)13-19(16)24-23(27)22-14-25(20-9-5-6-10-21(20)32-22)33(30,31)15-17-7-3-2-4-8-17/h2-13,22H,14-15H2,1H3,(H,24,27)