4-(4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide

Systemtic Name: 4-(4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide Openeye Name: 4-(4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide CAS Name: 4-(4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide IUPAC Name: 4-(4-methylsulfonylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide Traditional Name: 4-(4-mesylphenyl)-N-phenyl-1,4-diazepane-1-carboxamide Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S/c1-26(24,25)18-10-8-17(9-11-18)21-12-5-13-22(15-14-21)19(23)20-16-6-3-2-4-7-16/h2-4,6-11H,5,12-15H2,1H3,(H,20,23)