5-[[4-(cyclohexylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[4-(cyclohexylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[4-(cyclohexylamino)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[4-(cyclohexylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[4-(cyclohexylamino)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[4-(cyclohexylamino)-3-nitro-phenyl]sulfonylamino]isophthalic acid Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC(=C3)C(=O)O)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O8S/c24-19(25)12-8-13(20(26)27)10-15(9-12)22-32(30,31)16-6-7-17(18(11-16)23(28)29)21-14-4-2-1-3-5-14/h6-11,14,21-22H,1-5H2,(H,24,25)(H,26,27)