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

Systemtic Name: 6-tert-butyl-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-tert-butyl-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-tert-butyl-N-[3-[(4-chlorophenyl)methylthio]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-tert-butyl-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-tert-butyl-N-[3-[(4-chlorobenzyl)thio]propyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H31ClN2O4S2 MolecularWeight: 511.09694

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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)NCCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C)C(=O)NCCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H31ClN2O4S2/c1-24(2,3)18-8-11-21-20(14-18)27(33(4,29)30)15-22(31-21)23(28)26-12-5-13-32-16-17-6-9-19(25)10-7-17/h6-11,14,22H,5,12-13,15-16H2,1-4H3,(H,26,28)