methyl 3-[(2-cyclopentylethanoylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate

Systemtic Name: methyl 3-[(2-cyclopentylethanoylamino)methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Openeye Name: methyl 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(8-quinolylsulfonylamino)benzoate CAS Name: 3-[[(2-cyclopentyl-1-oxoethyl)amino]methyl]-5-(8-quinolinylsulfonylamino)benzoic acid methyl ester IUPAC Name: methyl 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(quinolin-8-ylsulfonylamino)benzoate Traditional Name: 3-[[(2-cyclopentylacetyl)amino]methyl]-5-(8-quinolylsulfonylamino)benzoic acid methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CNC(=O)CC4CCCC4

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC3=C2N=CC=C3)CNC(=O)CC4CCCC4

InChI

InChI=1S/C25H27N3O5S/c1-33-25(30)20-12-18(16-27-23(29)14-17-6-2-3-7-17)13-21(15-20)28-34(31,32)22-10-4-8-19-9-5-11-26-24(19)22/h4-5,8-13,15,17,28H,2-3,6-7,14,16H2,1H3,(H,27,29)