methyl 2-[4-(3-methylbutylcarbamoyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(3-methylbutylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-(isopentylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(3-methylbutylamino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(3-methylbutylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(isoamylcarbamoyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)CCNC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C19H28N2O5S/c1-14(2)8-11-20-18(22)15-9-12-21(13-10-15)27(24,25)17-7-5-4-6-16(17)19(23)26-3/h4-7,14-15H,8-13H2,1-3H3,(H,20,22)