ethyl 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate

Systemtic Name: ethyl 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]butanoate Openeye Name: ethyl 3-methyl-2-[(4-nitrophenyl)sulfonyl-(o-tolylmethyl)amino]butanoate CAS Name: 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-[(2-methylbenzyl)-nosyl-amino]butyric acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)N(CC1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(C(C)C)N(CC1=CC=CC=C1C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H26N2O6S/c1-5-29-21(24)20(15(2)3)22(14-17-9-7-6-8-16(17)4)30(27,28)19-12-10-18(11-13-19)23(25)26/h6-13,15,20H,5,14H2,1-4H3