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

Systemtic Name: dimethyl 5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-nitro-4-pyrrolidino-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H21N3O8S MolecularWeight: 463.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O8S/c1-30-19(24)13-9-14(20(25)31-2)11-15(10-13)21-32(28,29)16-5-6-17(18(12-16)23(26)27)22-7-3-4-8-22/h5-6,9-12,21H,3-4,7-8H2,1-2H3