3-[[4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitro-benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-nitrobenzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(4-cyanobenzoyl)piperazino]-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C26H23N5O6S MolecularWeight: 533.55572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H23N5O6S/c27-16-17-3-5-18(6-4-17)26(35)30-11-9-29(10-12-30)21-8-7-19(14-22(21)31(36)37)25(34)28-20(15-24(32)33)23-2-1-13-38-23/h1-8,13-14,20H,9-12,15H2,(H,28,34)(H,32,33)