N-[(2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-2-methyl-propyl]acetamide CAS Name: N-[(2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-2-methyl-1-(4-piazthiol-4-ylsulfonylpiperazine-1-carbonyl)propyl]acetamide Formula: C17H23N5O4S2 MolecularWeight: 425.52562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)NC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC3=NSN=C32)NC(=O)C

InChI

InChI=1S/C17H23N5O4S2/c1-11(2)15(18-12(3)23)17(24)21-7-9-22(10-8-21)28(25,26)14-6-4-5-13-16(14)20-27-19-13/h4-6,11,15H,7-10H2,1-3H3,(H,18,23)/t15-/m0/s1