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

Systemtic Name: ethyl 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonyl-amino]pentanoate Openeye Name: ethyl 3-methyl-2-[(4-nitrophenyl)sulfonyl-(o-tolylmethyl)amino]pentanoate CAS Name: 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 3-methyl-2-[(2-methylphenyl)methyl-(4-nitrophenyl)sulfonylamino]pentanoate Traditional Name: 3-methyl-2-[(2-methylbenzyl)-nosyl-amino]valeric acid ethyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-16(3)21(22(25)30-6-2)23(15-18-10-8-7-9-17(18)4)31(28,29)20-13-11-19(12-14-20)24(26)27/h7-14,16,21H,5-6,15H2,1-4H3