methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoate Openeye Name: methyl 2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-4-methylsulfanyl-butanoate CAS Name: 4-(methylthio)-2-[(2-nitrophenyl)sulfonyl-(phenylmethyl)amino]butanoic acid methyl ester IUPAC Name: methyl 2-[benzyl-(2-nitrophenyl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[benzyl-(2-nitrophenyl)sulfonyl-amino]-4-(methylthio)butyric acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CCSC)N(CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O6S2/c1-27-19(22)17(12-13-28-2)20(14-15-8-4-3-5-9-15)29(25,26)18-11-7-6-10-16(18)21(23)24/h3-11,17H,12-14H2,1-2H3