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

Systemtic Name: dimethyl 5-[(3-azanyl-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-amino-4-pyrrolidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-amino-4-(1-pyrrolidinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-amino-4-pyrrolidin-1-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-amino-4-pyrrolidino-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCC3)N)C(=O)OC

InChI

InChI=1S/C20H23N3O6S/c1-28-19(24)13-9-14(20(25)29-2)11-15(10-13)22-30(26,27)16-5-6-18(17(21)12-16)23-7-3-4-8-23/h5-6,9-12,22H,3-4,7-8,21H2,1-2H3