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

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-5-(2-methoxyethylsulfamoyl)-2-methyl-benzamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-5-(2-methoxyethylsulfamoyl)-2-methyl-benzamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-5-(2-methoxyethylsulfamoyl)-2-methyl-benzamide Formula: C21H30N4O4S2 MolecularWeight: 466.6173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCOC)C(=O)NC2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C21H30N4O4S2/c1-16-7-8-18(31(27,28)22-9-12-29-2)13-19(16)20(26)24-21-23-17(15-30-21)14-25-10-5-3-4-6-11-25/h7-8,13,15,22H,3-6,9-12,14H2,1-2H3,(H,23,24,26)