3-methylbutyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: 3-methylbutyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: isopentyl 4-methoxy-3-[(2-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 4-methoxy-3-[(2-methyl-1-piperidinyl)sulfonyl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 4-methoxy-3-(2-methylpiperidino)sulfonyl-benzoic acid isoamyl ester Formula: C19H29NO5S MolecularWeight: 383.50226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC(C)C)OC

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCCC(C)C)OC

InChI

InChI=1S/C19H29NO5S/c1-14(2)10-12-25-19(21)16-8-9-17(24-4)18(13-16)26(22,23)20-11-6-5-7-15(20)3/h8-9,13-15H,5-7,10-12H2,1-4H3