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

Systemtic Name: 6-tert-butyl-N-[2-(4-chlorophenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[2-(4-chlorophenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[2-[(4-chlorophenyl)thio]ethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[2-(4-chlorophenyl)sulfanylethyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[2-[(4-chlorophenyl)thio]ethyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H27ClN2O4S2 MolecularWeight: 483.04378

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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)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H27ClN2O4S2/c1-22(2,3)15-5-10-19-18(13-15)25(31(4,27)28)14-20(29-19)21(26)24-11-12-30-17-8-6-16(23)7-9-17/h5-10,13,20H,11-12,14H2,1-4H3,(H,24,26)