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

Systemtic Name: N-[5-(2-naphthalen-2-ylsulfonylethyl)-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Openeye Name: N-[5-[2-(2-naphthylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide CAS Name: N-[5-[2-(2-naphthalenylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide IUPAC Name: N-[5-(2-naphthalen-2-ylsulfonylethyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide Traditional Name: N-[5-[2-(2-naphthylsulfonyl)ethyl]-1,3,4-thiadiazol-2-yl]-4-nitro-benzamide Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)CCC3=NN=C(S3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5S2/c26-20(15-5-8-17(9-6-15)25(27)28)22-21-24-23-19(31-21)11-12-32(29,30)18-10-7-14-3-1-2-4-16(14)13-18/h1-10,13H,11-12H2,(H,22,24,26)