3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-sulfamoylphenyl)methyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-sulfamoylphenyl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-sulfamoylphenyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(4-sulfamoylphenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(4-sulfamoylphenyl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(4-sulfamoylbenzyl)propionamide Formula: C22H29N3O5S2 MolecularWeight: 479.61276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H29N3O5S2/c23-31(27,28)20-10-7-19(8-11-20)17-24-22(26)14-9-18-5-12-21(13-6-18)32(29,30)25-15-3-1-2-4-16-25/h5-8,10-13H,1-4,9,14-17H2,(H,24,26)(H2,23,27,28)