(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cycloheptyl-3-methyl-butanamide

Systemtic Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cycloheptyl-3-methyl-butanamide Openeye Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cycloheptyl-3-methyl-butanamide CAS Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cycloheptyl-3-methylbutanamide IUPAC Name: (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cycloheptyl-3-methylbutanamide Traditional Name: (2S)-N-cycloheptyl-3-methyl-2-(piazthiol-4-ylsulfonylamino)butyramide Formula: C18H26N4O3S2 MolecularWeight: 410.55404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1CCCCCC1)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H26N4O3S2/c1-12(2)16(18(23)19-13-8-5-3-4-6-9-13)22-27(24,25)15-11-7-10-14-17(15)21-26-20-14/h7,10-13,16,22H,3-6,8-9H2,1-2H3,(H,19,23)/t16-/m0/s1