N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-4-(dimethylsulfamoyl)benzamide Formula: C22H29N3O6S2 MolecularWeight: 495.61216

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C22H29N3O6S2/c1-24(2)32(27,28)18-10-8-17(9-11-18)22(26)23-20-16-19(12-13-21(20)31-3)33(29,30)25-14-6-4-5-7-15-25/h8-13,16H,4-7,14-15H2,1-3H3,(H,23,26)