dimethyl 5-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[4-(1-azepanyl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[4-(azepan-1-yl)-3-nitrophenyl]sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[4-(azepan-1-yl)-3-nitro-phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C22H25N3O8S/c1-32-21(26)15-11-16(22(27)33-2)13-17(12-15)23-34(30,31)18-7-8-19(20(14-18)25(28)29)24-9-5-3-4-6-10-24/h7-8,11-14,23H,3-6,9-10H2,1-2H3