methyl 2-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoate

Systemtic Name: methyl 2-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoate Openeye Name: methyl 2-[[4-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoate CAS Name: 2-[[4-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(4-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoate Traditional Name: 2-[(4-piperidinosulfonylphenyl)sulfamoyl]benzoic acid methyl ester Formula: C19H22N2O6S2 MolecularWeight: 438.51778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H22N2O6S2/c1-27-19(22)17-7-3-4-8-18(17)28(23,24)20-15-9-11-16(12-10-15)29(25,26)21-13-5-2-6-14-21/h3-4,7-12,20H,2,5-6,13-14H2,1H3