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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-5-30-22(25)21(13-16(2)3)23(15-18-8-6-7-17(4)14-18)31(28,29)20-11-9-19(10-12-20)24(26)27/h6-12,14,16,21H,5,13,15H2,1-4H3