1-phenylethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 1-phenylethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: 1-phenylethyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid 1-phenylethyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-16-11-12-19(21(23)26-17(2)18-9-5-3-6-10-18)15-20(16)27(24,25)22-13-7-4-8-14-22/h3,5-6,9-12,15,17H,4,7-8,13-14H2,1-2H3