methyl 3-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoate

Systemtic Name: methyl 3-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoate Openeye Name: methyl 3-[[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoate CAS Name: 3-[[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-ethoxy-3-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid methyl ester Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O7S2/c1-3-30-19-11-10-17(15-20(19)32(27,28)23-12-5-4-6-13-23)22-31(25,26)18-9-7-8-16(14-18)21(24)29-2/h7-11,14-15,22H,3-6,12-13H2,1-2H3