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

Systemtic Name: methyl 3-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methyl-benzoate Openeye Name: methyl 3-[[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]-4-methyl-benzoate CAS Name: 3-[[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]-4-methylbenzoate Traditional Name: 3-[(4-ethoxy-3-piperidinosulfonyl-phenyl)sulfamoyl]-4-methyl-benzoic acid methyl ester Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O7S2/c1-4-31-19-11-10-18(15-21(19)33(28,29)24-12-6-5-7-13-24)23-32(26,27)20-14-17(22(25)30-3)9-8-16(20)2/h8-11,14-15,23H,4-7,12-13H2,1-3H3