N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[2-(azepan-1-yl)-2-oxo-ethyl]thiazol-2-yl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[2-(1-azepanyl)-2-oxoethyl]-2-thiazolyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[2-(azepan-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[2-(azepan-1-yl)-2-keto-ethyl]thiazol-2-yl]-4-methyl-benzenesulfonamide Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CS2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O3S2/c1-14-6-8-16(9-7-14)26(23,24)20-18-19-15(13-25-18)12-17(22)21-10-4-2-3-5-11-21/h6-9,13H,2-5,10-12H2,1H3,(H,19,20)