N-[2-(azepan-1-yl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(propargylsulfamoyl)benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCCC3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2N3CCCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-2-14-23-29(27,28)19-11-9-10-18(17-19)22(26)24-20-12-5-6-13-21(20)25-15-7-3-4-8-16-25/h1,5-6,9-13,17,23H,3-4,7-8,14-16H2,(H,24,26)