2-[[4-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-nitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-nitro-benzoyl]amino]acetic acid CAS Name: 2-[[[4-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]-3-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-nitrobenzoyl]amino]acetic acid Traditional Name: 2-[[4-[4-(3-acetylphenyl)sulfonylpiperazino]-3-nitro-benzoyl]amino]acetic acid Formula: C21H22N4O8S MolecularWeight: 490.48638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O8S/c1-14(26)15-3-2-4-17(11-15)34(32,33)24-9-7-23(8-10-24)18-6-5-16(12-19(18)25(30)31)21(29)22-13-20(27)28/h2-6,11-12H,7-10,13H2,1H3,(H,22,29)(H,27,28)