3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide Formula: C21H26ClN3O5S2 MolecularWeight: 500.03124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C21H26ClN3O5S2/c22-19-10-7-17(15-20(19)32(29,30)25-13-3-1-2-4-14-25)21(26)24-12-11-16-5-8-18(9-6-16)31(23,27)28/h5-10,15H,1-4,11-14H2,(H,24,26)(H2,23,27,28)