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

Systemtic Name: dimethyl 5-[(3-azanyl-4-piperidin-1-yl-phenyl)sulfonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[3-amino-4-(1-piperidyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[3-amino-4-(1-piperidinyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-amino-4-piperidin-1-ylphenyl)sulfonylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-amino-4-piperidino-phenyl)sulfonylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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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)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)N3CCCCC3)N)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-29-20(25)14-10-15(21(26)30-2)12-16(11-14)23-31(27,28)17-6-7-19(18(22)13-17)24-8-4-3-5-9-24/h6-7,10-13,23H,3-5,8-9,22H2,1-2H3