N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]piazthiole-4-sulfonamide Formula: C17H15N5O2S2 MolecularWeight: 385.4633

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H15N5O2S2/c1-12(13-5-7-14(8-6-13)22-10-9-18-11-22)21-26(23,24)16-4-2-3-15-17(16)20-25-19-15/h2-12,21H,1H3/t12-/m0/s1