(2-methoxy-4-methyl-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (2-methoxy-4-methyl-phenyl) 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (2-methoxy-4-methyl-phenyl) 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid (2-methoxy-4-methylphenyl) ester IUPAC Name: (2-methoxy-4-methylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid (2-methoxy-4-methyl-phenyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCCCC3)OC

InChI

InChI=1S/C21H25NO5S/c1-15-7-10-18(19(13-15)26-3)27-21(23)17-9-8-16(2)20(14-17)28(24,25)22-11-5-4-6-12-22/h7-10,13-14H,4-6,11-12H2,1-3H3