4-methyl-N-[5-(2-naphthalen-2-ylsulfonylethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[5-(2-naphthalen-2-ylsulfonylethyl)-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[5-[2-(2-naphthylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide CAS Name: 4-methyl-N-[5-[2-(2-naphthalenylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[5-(2-naphthalen-2-ylsulfonylethyl)-1,3,4-thiadiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[5-[2-(2-naphthylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-3-nitro-benzamide Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)CCS(=O)(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N4O5S2/c1-14-6-7-17(13-19(14)26(28)29)21(27)23-22-25-24-20(32-22)10-11-33(30,31)18-9-8-15-4-2-3-5-16(15)12-18/h2-9,12-13H,10-11H2,1H3,(H,23,25,27)