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

Systemtic Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)sulfonylamino]hexanoate Openeye Name: ethyl 2-[(2-nitrophenyl)sulfonylamino]-6-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)sulfonylamino]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylphenyl)sulfonylamino]-2-[(2-nitrophenyl)sulfonylamino]hexanoate Traditional Name: 2-[(2-nitrophenyl)sulfonylamino]-6-(tosylamino)hexanoic acid ethyl ester Formula: C21H27N3O8S2 MolecularWeight: 513.58438

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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)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O8S2/c1-3-32-21(25)18(23-34(30,31)20-10-5-4-9-19(20)24(26)27)8-6-7-15-22-33(28,29)17-13-11-16(2)12-14-17/h4-5,9-14,18,22-23H,3,6-8,15H2,1-2H3