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

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(4-iodo-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(4-iodo-2-methylphenyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(4-iodo-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-iodo-2-methyl-phenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H21IN2O4S MolecularWeight: 548.39331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)C2CN(C3=CC=CC=C3O2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H21IN2O4S/c1-16-13-18(24)11-12-19(16)25-23(27)22-14-26(20-9-5-6-10-21(20)30-22)31(28,29)15-17-7-3-2-4-8-17/h2-13,22H,14-15H2,1H3,(H,25,27)