ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)methylsulfonylamino]hexanoate

Systemtic Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)methylsulfonylamino]hexanoate Openeye Name: ethyl 2-[(2-nitrophenyl)methylsulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)methylsulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)methylsulfonylamino]hexanoate Traditional Name: 2-[(2-nitrobenzyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C22H29N3O8S2 MolecularWeight: 527.61096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(CCCCNS(=O)(=O)C1=CC=C(C=C1)C)NS(=O)(=O)CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O8S2/c1-3-33-22(26)20(24-34(29,30)16-18-8-4-5-10-21(18)25(27)28)9-6-7-15-23-35(31,32)19-13-11-17(2)12-14-19/h4-5,8,10-14,20,23-24H,3,6-7,9,15-16H2,1-2H3