N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide

Systemtic Name: N-[[3-(cyclopropylcarbonylamino)phenyl]methyl]-4-(phenylsulfonyl)piperazine-1-carboxamide Openeye Name: 4-(benzenesulfonyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-(benzenesulfonyl)-N-[[3-[[cyclopropyl(oxo)methyl]amino]phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-(benzenesulfonyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-besyl-N-[3-(cyclopropanecarbonylamino)benzyl]piperazine-1-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O4S/c27-21(18-9-10-18)24-19-6-4-5-17(15-19)16-23-22(28)25-11-13-26(14-12-25)31(29,30)20-7-2-1-3-8-20/h1-8,15,18H,9-14,16H2,(H,23,28)(H,24,27)