N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-(thiazol-4-ylmethoxy)benzamide Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)OCC3=CSC=N3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H27N3O4S2/c1-18-9-10-20(14-23(18)33(29,30)27-11-4-2-3-5-12-27)26-24(28)19-7-6-8-22(13-19)31-15-21-16-32-17-25-21/h6-10,13-14,16-17H,2-5,11-12,15H2,1H3,(H,26,28)