2-phenoxyethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: 2-phenoxyethyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: 2-phenoxyethyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid 2-phenoxyethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCCOC3=CC=CC=C3

InChI

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