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

Systemtic Name: 4-(phenylmethyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-(phenylmethyl)sulfonyl-N-[2-(phenylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[2-(phenylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C28H24N2O4S2 MolecularWeight: 516.63116

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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=C4SC5=CC=CC=C5

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4SC5=CC=CC=C5

InChI

InChI=1S/C28H24N2O4S2/c31-28(29-23-15-7-10-18-27(23)35-22-13-5-2-6-14-22)26-19-30(24-16-8-9-17-25(24)34-26)36(32,33)20-21-11-3-1-4-12-21/h1-18,26H,19-20H2,(H,29,31)