[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H34N2O5S MolecularWeight: 450.59146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OC(C)C(=O)NC3CCCCCC3

InChI

InChI=1S/C23H34N2O5S/c1-17-12-13-20(31(28,29)25-14-8-5-9-15-25)16-21(17)23(27)30-18(2)22(26)24-19-10-6-3-4-7-11-19/h12-13,16,18-19H,3-11,14-15H2,1-2H3,(H,24,26)