2-chloranyl-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-methylsulfanyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[1-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)carbamoyl]-3-(methylthio)propyl]-4-nitro-benzamide Formula: C22H24ClN3O6S MolecularWeight: 493.96046

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C(CCSC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCCO2)C(=O)C(CCSC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H24ClN3O6S/c1-25(13-14-3-6-19-20(11-14)32-9-8-31-19)22(28)18(7-10-33-2)24-21(27)16-5-4-15(26(29)30)12-17(16)23/h3-6,11-12,18H,7-10,13H2,1-2H3,(H,24,27)