4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboximidamide

Systemtic Name: 4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboximidamide Openeye Name: 4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-methylsulfanyl-thiophene-2-carboxamidine CAS Name: 4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-(methylthio)-2-thiophenecarboximidamide IUPAC Name: 4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-methylsulfanylthiophene-2-carboximidamide Traditional Name: 4-[S-(3-bromophenyl)-N-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]sulfonimidoyl]-5-(methylthio)thiophene-2-carboxamidine Formula: C21H21BrN4O4S4 MolecularWeight: 601.57984

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCOC2=C1C=C(C=C2)S(=O)(=O)N=S(=O)(C3=CC(=CC=C3)Br)C4=C(SC(=C4)C(=N)N)SC

Isomeric SMILES

CN1CCOC2=C1C=C(C=C2)S(=O)(=O)N=S(=O)(C3=CC(=CC=C3)Br)C4=C(SC(=C4)C(=N)N)SC

InChI

InChI=1S/C21H21BrN4O4S4/c1-26-8-9-30-17-7-6-15(11-16(17)26)34(28,29)25-33(27,14-5-3-4-13(22)10-14)19-12-18(20(23)24)32-21(19)31-2/h3-7,10-12H,8-9H2,1-2H3,(H3,23,24)