3-(azepan-1-ylsulfonyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-4-methylbenzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methylbenzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-4-methyl-benzamide Formula: C26H31N5O5S2 MolecularWeight: 557.68484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC(=CC(=N3)C)C)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C26H31N5O5S2/c1-18-8-9-21(17-24(18)38(35,36)31-14-6-4-5-7-15-31)25(32)29-22-10-12-23(13-11-22)37(33,34)30-26-27-19(2)16-20(3)28-26/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,29,32)(H,27,28,30)