N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[5-[2-(p-tolylsulfonylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[5-[2-(tosylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C18H17N5O5S2 MolecularWeight: 447.48808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(S2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O5S2/c1-12-5-7-15(8-6-12)30(27,28)19-10-9-16-21-22-18(29-16)20-17(24)13-3-2-4-14(11-13)23(25)26/h2-8,11,19H,9-10H2,1H3,(H,20,22,24)