N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-[4-(3-nitrophenyl)thiazol-2-yl]butanamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanamide Traditional Name: 4-benzylsulfonyl-N-[4-(3-nitrophenyl)thiazol-2-yl]butyramide Formula: C20H19N3O5S2 MolecularWeight: 445.51196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCCC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S2/c24-19(10-5-11-30(27,28)14-15-6-2-1-3-7-15)22-20-21-18(13-29-20)16-8-4-9-17(12-16)23(25)26/h1-4,6-9,12-13H,5,10-11,14H2,(H,21,22,24)