N-(2-tert-butylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-4-(4-chlorophenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25ClN2O4S2 MolecularWeight: 469.0172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O4S2/c1-21(2,3)29-13-12-23-20(25)19-14-24(17-6-4-5-7-18(17)28-19)30(26,27)16-10-8-15(22)9-11-16/h4-11,19H,12-14H2,1-3H3,(H,23,25)