3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(quinolin-8-ylsulfonylamino)propanoic acid

Systemtic Name: 3-[2-[4-(4-cyanophenyl)-2-oxidanylidene-piperazin-1-yl]ethanoylamino]-2-(quinolin-8-ylsulfonylamino)propanoic acid Openeye Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-piperazin-1-yl]acetyl]amino]-2-(8-quinolylsulfonylamino)propanoic acid CAS Name: 3-[[2-[4-(4-cyanophenyl)-2-oxo-1-piperazinyl]-1-oxoethyl]amino]-2-(8-quinolinylsulfonylamino)propanoic acid IUPAC Name: 3-[[2-[4-(4-cyanophenyl)-2-oxopiperazin-1-yl]acetyl]amino]-2-(quinolin-8-ylsulfonylamino)propanoic acid Traditional Name: 3-[[2-[4-(4-cyanophenyl)-2-keto-piperazino]acetyl]amino]-2-(8-quinolylsulfonylamino)propionic acid Formula: C25H24N6O6S MolecularWeight: 536.55966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(C(=O)CN1C2=CC=C(C=C2)C#N)CC(=O)NCC(C(=O)O)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C25H24N6O6S/c26-13-17-6-8-19(9-7-17)30-11-12-31(23(33)16-30)15-22(32)28-14-20(25(34)35)29-38(36,37)21-5-1-3-18-4-2-10-27-24(18)21/h1-10,20,29H,11-12,14-16H2,(H,28,32)(H,34,35)