4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide

Systemtic Name: 4-methylsulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Openeye Name: 4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]-2-[[(E)-styryl]sulfonylamino]butanamide CAS Name: 4-(methylthio)-N-[2-(2-nitroanilino)ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide IUPAC Name: 4-methylsulfanyl-N-[2-(2-nitroanilino)ethyl]-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide Traditional Name: 4-(methylthio)-N-[2-(2-nitroanilino)ethyl]-2-[[(E)-styryl]sulfonylamino]butyramide Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NCCNC1=CC=CC=C1[N+](=O)[O-])NS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26N4O5S2/c1-31-15-11-19(24-32(29,30)16-12-17-7-3-2-4-8-17)21(26)23-14-13-22-18-9-5-6-10-20(18)25(27)28/h2-10,12,16,19,22,24H,11,13-15H2,1H3,(H,23,26)/b16-12+