N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-N-methyl-4-methylsulfanyl-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-(methylthio)-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-4-methylsulfanyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-N-methyl-4-(methylthio)-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H24ClN3O5S2 MolecularWeight: 498.01536

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C(CCSC)NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CN(CC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C(=O)C(CCSC)NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H24ClN3O5S2/c1-24(15-17-14-18(25(27)28)8-9-19(17)22)21(26)20(10-12-31-2)23-32(29,30)13-11-16-6-4-3-5-7-16/h3-9,11,13-14,20,23H,10,12,15H2,1-2H3/b13-11+