6-tert-butyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-tert-butyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[2-[(3-chlorophenyl)methylthio]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[2-[(3-chlorobenzyl)thio]ethyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H29ClN2O4S2 MolecularWeight: 497.07036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H29ClN2O4S2/c1-23(2,3)17-8-9-20-19(13-17)26(32(4,28)29)14-21(30-20)22(27)25-10-11-31-15-16-6-5-7-18(24)12-16/h5-9,12-13,21H,10-11,14-15H2,1-4H3,(H,25,27)