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

Systemtic Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(2-nitrophenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2-nitrophenyl)sulfonylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 2-[(4-methylphenyl)sulfonylamino]-6-[(2-nitrophenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 2-[(4-methylphenyl)sulfonylamino]-6-[(2-nitrophenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2-nitrophenyl)sulfonylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C20H25N3O8S2 MolecularWeight: 499.5578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H25N3O8S2/c1-15-10-12-16(13-11-15)32(27,28)22-17(20(24)31-2)7-5-6-14-21-33(29,30)19-9-4-3-8-18(19)23(25)26/h3-4,8-13,17,21-22H,5-7,14H2,1-2H3