methyl 2-[3-[4-(2-methylpropylcarbamoyl)-1,2,3-triazol-1-yl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[3-[4-(2-methylpropylcarbamoyl)-1,2,3-triazol-1-yl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[3-[4-(isobutylcarbamoyl)triazol-1-yl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[3-[4-[(2-methylpropylamino)-oxomethyl]-1-triazolyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[4-(2-methylpropylcarbamoyl)triazol-1-yl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[3-[4-(isobutylcarbamoyl)triazol-1-yl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H27N5O5S MolecularWeight: 449.52388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CN(N=N1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CN(N=N1)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H27N5O5S/c1-14(2)11-21-19(26)17-13-25(23-22-17)15-7-6-10-24(12-15)31(28,29)18-9-5-4-8-16(18)20(27)30-3/h4-5,8-9,13-15H,6-7,10-12H2,1-3H3,(H,21,26)