3-(azepan-1-ylsulfonyl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]benzamide Formula: C21H25N5O3S2 MolecularWeight: 459.5849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=NC=CN4C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)C4=NC=CN4C

InChI

InChI=1S/C21H25N5O3S2/c1-15-18(19-22-10-13-25(19)2)30-21(23-15)24-20(27)16-8-7-9-17(14-16)31(28,29)26-11-5-3-4-6-12-26/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24,27)