(2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: (2R)-2-[[4-(azepan-1-yl)phenyl]amino]-N-(4-sulfamoylphenyl)propanamide Openeye Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(4-sulfamoylphenyl)propanamide CAS Name: (2R)-2-[4-(1-azepanyl)anilino]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(4-sulfamoylphenyl)propanamide Traditional Name: (2R)-2-[4-(azepan-1-yl)anilino]-N-(4-sulfamoylphenyl)propionamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-16(21(26)24-18-8-12-20(13-9-18)29(22,27)28)23-17-6-10-19(11-7-17)25-14-4-2-3-5-15-25/h6-13,16,23H,2-5,14-15H2,1H3,(H,24,26)(H2,22,27,28)/t16-/m1/s1