methyl 3-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Openeye Name: methyl 3-[[4-(1-piperidylsulfonyl)phenyl]carbamoyl]benzoate CAS Name: 3-[oxo-[4-(1-piperidinylsulfonyl)anilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate Traditional Name: 3-[(4-piperidinosulfonylphenyl)carbamoyl]benzoic acid methyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c1-27-20(24)16-7-5-6-15(14-16)19(23)21-17-8-10-18(11-9-17)28(25,26)22-12-3-2-4-13-22/h5-11,14H,2-4,12-13H2,1H3,(H,21,23)