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

Systemtic Name: 3-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: 3-methyl-4-nitro-N-[5-[2-(p-tolylsulfonylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: 3-methyl-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-[5-[2-(tosylamino)ethyl]-1,3,4-thiadiazol-2-yl]benzamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O5S2/c1-12-3-6-15(7-4-12)31(28,29)20-10-9-17-22-23-19(30-17)21-18(25)14-5-8-16(24(26)27)13(2)11-14/h3-8,11,20H,9-10H2,1-2H3,(H,21,23,25)