3-[2-[1-(4-cyanophenyl)piperidin-4-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[1-(4-cyanophenyl)piperidin-4-yl]ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-cyanophenyl)-4-piperidyl]acetyl]amino]propanoic acid CAS Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-cyanophenyl)-4-piperidinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-cyanophenyl)piperidin-4-yl]acetyl]amino]propanoic acid Traditional Name: 2-(benzenesulfonamido)-3-[[2-[1-(4-cyanophenyl)-4-piperidyl]acetyl]amino]propionic acid Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1CC(=O)NCC(C(=O)O)NS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H26N4O5S/c24-15-18-6-8-19(9-7-18)27-12-10-17(11-13-27)14-22(28)25-16-21(23(29)30)26-33(31,32)20-4-2-1-3-5-20/h1-9,17,21,26H,10-14,16H2,(H,25,28)(H,29,30)