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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-(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=C(C=C2)OCC3=CSC=N3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

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

InChI

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