(E)-6-(4-methylpiperidin-1-yl)-5-(naphthalen-2-ylsulfonylamino)-6-oxidanylidene-hex-2-enoic acid

Systemtic Name: (E)-6-(4-methylpiperidin-1-yl)-5-(naphthalen-2-ylsulfonylamino)-6-oxidanylidene-hex-2-enoic acid Openeye Name: (E)-6-(4-methyl-1-piperidyl)-5-(2-naphthylsulfonylamino)-6-oxo-hex-2-enoic acid CAS Name: (E)-6-(4-methyl-1-piperidinyl)-5-(2-naphthalenylsulfonylamino)-6-oxo-2-hexenoic acid IUPAC Name: (E)-6-(4-methylpiperidin-1-yl)-5-(naphthalen-2-ylsulfonylamino)-6-oxohex-2-enoic acid Traditional Name: (E)-6-keto-6-(4-methylpiperidino)-5-(2-naphthylsulfonylamino)hex-2-enoic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-16-11-13-24(14-12-16)22(27)20(7-4-8-21(25)26)23-30(28,29)19-10-9-17-5-2-3-6-18(17)15-19/h2-6,8-10,15-16,20,23H,7,11-14H2,1H3,(H,25,26)/b8-4+