3-(aminocarbonylamino)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(aminocarbonylamino)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-ureido-propanamide CAS Name: 3-(carbamoylamino)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(carbamoylamino)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-3-ureido-propionamide Formula: C22H27N5O4S MolecularWeight: 457.54588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H27N5O4S/c23-22(29)26-19(16-8-3-1-4-9-16)15-21(28)25-17-10-7-11-18(14-17)32(30,31)27-20-12-5-2-6-13-24-20/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2,(H,24,27)(H,25,28)(H3,23,26,29)