(4-aminocarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-aminocarbonylphenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-carbamoylphenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (4-carbamoylphenyl) ester IUPAC Name: (4-carbamoylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (4-carbamoylphenyl) ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCC3

InChI

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