N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-4-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide

Systemtic Name: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-4-chloranyl-N-(2-oxidanylideneazepan-3-yl)benzenesulfonamide Openeye Name: N-[[4-(4-tert-butylthiazol-2-yl)phenyl]methyl]-4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide CAS Name: N-[[4-(4-tert-butyl-2-thiazolyl)phenyl]methyl]-4-chloro-N-(2-oxo-3-azepanyl)benzenesulfonamide IUPAC Name: N-[[4-(4-tert-butyl-1,3-thiazol-2-yl)phenyl]methyl]-4-chloro-N-(2-oxoazepan-3-yl)benzenesulfonamide Traditional Name: N-[4-(4-tert-butylthiazol-2-yl)benzyl]-4-chloro-N-(2-ketoazepan-3-yl)benzenesulfonamide Formula: C26H30ClN3O3S2 MolecularWeight: 532.1177

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CSC(=N1)C2=CC=C(C=C2)CN(C3CCCCNC3=O)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H30ClN3O3S2/c1-26(2,3)23-17-34-25(29-23)19-9-7-18(8-10-19)16-30(22-6-4-5-15-28-24(22)31)35(32,33)21-13-11-20(27)12-14-21/h7-14,17,22H,4-6,15-16H2,1-3H3,(H,28,31)