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

Systemtic Name: 4-ethylsulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[2-(phenylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-[2-(phenylthio)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O4S2/c1-2-31(27,28)25-16-21(29-20-14-8-7-13-19(20)25)23(26)24-18-12-6-9-15-22(18)30-17-10-4-3-5-11-17/h3-15,21H,2,16H2,1H3,(H,24,26)