5-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-2-oxidanylidene-pentanoic acid Openeye Name: 5-(4-methyl-1-piperidyl)-3-(2-naphthylsulfonylamino)-2-oxo-pentanoic acid CAS Name: 5-(4-methyl-1-piperidinyl)-3-(2-naphthalenylsulfonylamino)-2-oxopentanoic acid IUPAC Name: 5-(4-methylpiperidin-1-yl)-3-(naphthalen-2-ylsulfonylamino)-2-oxopentanoic acid Traditional Name: 2-keto-5-(4-methylpiperidino)-3-(2-naphthylsulfonylamino)valeric acid Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CCC(C(=O)C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1CCN(CC1)CCC(C(=O)C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H26N2O5S/c1-15-8-11-23(12-9-15)13-10-19(20(24)21(25)26)22-29(27,28)18-7-6-16-4-2-3-5-17(16)14-18/h2-7,14-15,19,22H,8-13H2,1H3,(H,25,26)