N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(4-methylthiazol-2-yl)sulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-[(4-methyl-2-thiazolyl)thio]acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-[(4-methylthiazol-2-yl)thio]acetamide Formula: C18H22ClN3O3S3 MolecularWeight: 460.03358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)Cl

InChI

InChI=1S/C18H22ClN3O3S3/c1-13-11-26-18(20-13)27-12-17(23)21-16-10-14(6-7-15(16)19)28(24,25)22-8-4-2-3-5-9-22/h6-7,10-11H,2-5,8-9,12H2,1H3,(H,21,23)