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

Systemtic Name: dimethyl 5-[(3-nitro-4-piperidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-nitro-4-(1-piperidyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-nitro-4-(1-piperidinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-nitro-4-piperidin-1-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-nitro-4-piperidino-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H23N3O8S/c1-31-20(25)14-10-15(21(26)32-2)12-16(11-14)22-33(29,30)17-6-7-18(19(13-17)24(27)28)23-8-4-3-5-9-23/h6-7,10-13,22H,3-5,8-9H2,1-2H3