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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(2-thienyl)thiazol-4-yl]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-(2-thiophen-2-yl-4-thiazolyl)acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[2-(2-thienyl)thiazol-4-yl]acetamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2=CSC(=N2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CC2=CSC(=N2)C3=CC=CS3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S3/c1-16-8-9-17(13-20(16)31(27,28)25-10-4-2-3-5-11-25)23-21(26)14-18-15-30-22(24-18)19-7-6-12-29-19/h6-9,12-13,15H,2-5,10-11,14H2,1H3,(H,23,26)