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

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methyl-5-(m-tolylsulfamoyl)benzamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methyl-5-(m-tolylsulfamoyl)benzamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=NC(=CS3)CN4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC3=NC(=CS3)CN4CCCCCC4

InChI

InChI=1S/C25H30N4O3S2/c1-18-8-7-9-20(14-18)28-34(31,32)22-11-10-19(2)23(15-22)24(30)27-25-26-21(17-33-25)16-29-12-5-3-4-6-13-29/h7-11,14-15,17,28H,3-6,12-13,16H2,1-2H3,(H,26,27,30)