N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H23ClN2O4S2/c1-2-29(25,26)23-13-19(27-18-9-4-3-8-17(18)23)20(24)22-10-11-28-14-15-6-5-7-16(21)12-15/h3-9,12,19H,2,10-11,13-14H2,1H3,(H,22,24)