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

Systemtic Name: N-(2-methyl-3-nitro-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-methyl-3-nitro-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(2-methyl-3-nitrophenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-methyl-3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(2-methyl-3-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=CC=C1[N+](=O)[O-])NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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