4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzamide

Systemtic Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzamide Openeye Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzamide CAS Name: 4-[[3-(1-azepanylsulfonyl)-4-methylphenyl]sulfamoyl]benzamide IUPAC Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methylphenyl]sulfamoyl]benzamide Traditional Name: 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]sulfamoyl]benzamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)N)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-15-6-9-17(14-19(15)30(27,28)23-12-4-2-3-5-13-23)22-29(25,26)18-10-7-16(8-11-18)20(21)24/h6-11,14,22H,2-5,12-13H2,1H3,(H2,21,24)