2-[2,1,3-benzothiadiazol-5-ylmethylsulfonyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2,1,3-benzothiadiazol-5-ylmethylsulfonyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid Openeye Name: 2-[2,1,3-benzothiadiazol-5-ylmethylsulfonyl(2-sulfanylethyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[2,1,3-benzothiadiazol-5-ylmethylsulfonyl(2-mercaptoethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[2,1,3-benzothiadiazol-5-ylmethylsulfonyl(2-sulfanylethyl)amino]-4-methylpentanoic acid Traditional Name: 2-[2-mercaptoethyl(piazthiol-5-ylmethylsulfonyl)amino]-4-methyl-valeric acid Formula: C15H21N3O4S3 MolecularWeight: 403.53994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCS)S(=O)(=O)CC1=CC2=NSN=C2C=C1

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCS)S(=O)(=O)CC1=CC2=NSN=C2C=C1

InChI

InChI=1S/C15H21N3O4S3/c1-10(2)7-14(15(19)20)18(5-6-23)25(21,22)9-11-3-4-12-13(8-11)17-24-16-12/h3-4,8,10,14,23H,5-7,9H2,1-2H3,(H,19,20)