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

Systemtic Name: (3-acetamidophenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (3-acetamidophenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (3-acetamidophenyl) ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-15-9-10-17(13-20(15)29(26,27)23-11-4-3-5-12-23)21(25)28-19-8-6-7-18(14-19)22-16(2)24/h6-10,13-14H,3-5,11-12H2,1-2H3,(H,22,24)