N-[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)butan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[(1S)-2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(4-phenyl-1-piperazinyl)butan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(4-phenylpiperazin-1-yl)butan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[(1S)-2-methyl-1-(4-phenylpiperazine-1-carbonyl)propyl]piazthiole-4-sulfonamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C21H25N5O3S2/c1-15(2)19(24-31(28,29)18-10-6-9-17-20(18)23-30-22-17)21(27)26-13-11-25(12-14-26)16-7-4-3-5-8-16/h3-10,15,19,24H,11-14H2,1-2H3/t19-/m0/s1