2-phenoxyethyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCCOC2=CC=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H25NO5S/c1-17-10-11-18(16-20(17)28(24,25)22-12-6-3-7-13-22)21(23)27-15-14-26-19-8-4-2-5-9-19/h2,4-5,8-11,16H,3,6-7,12-15H2,1H3