(2,3,6-trimethylphenyl) 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-piperidin-1-ylsulfonylbenzoate Openeye Name: (2,3,6-trimethylphenyl) 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid (2,3,6-trimethylphenyl) ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-15-7-8-16(2)20(17(15)3)26-21(23)18-9-11-19(12-10-18)27(24,25)22-13-5-4-6-14-22/h7-12H,4-6,13-14H2,1-3H3