(2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2S)-N-(4-sulfamoylphenyl)-2-(4-tosyl-1,4-diazepan-1-yl)propionamide Formula: C21H28N4O5S2 MolecularWeight: 480.60082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)[C@@H](C)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H28N4O5S2/c1-16-4-8-20(9-5-16)32(29,30)25-13-3-12-24(14-15-25)17(2)21(26)23-18-6-10-19(11-7-18)31(22,27)28/h4-11,17H,3,12-15H2,1-2H3,(H,23,26)(H2,22,27,28)/t17-/m0/s1