sodium N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: sodium N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-(4-benzoylpiperazin-1-yl)phenyl]sulfamate CAS Name: sodium N-[4-(4-benzoyl-1-piperazinyl)phenyl]sulfamate IUPAC Name: sodium N-[4-(4-benzoylpiperazin-1-yl)phenyl]sulfamate Traditional Name: sodium N-[4-(4-benzoylpiperazino)phenyl]sulfamate Formula: C17H18N3NaO4S MolecularWeight: 383.39729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H19N3O4S.Na/c21-17(14-4-2-1-3-5-14)20-12-10-19(11-13-20)16-8-6-15(7-9-16)18-25(22,23)24;/h1-9,18H,10-13H2,(H,22,23,24);/q;+1/p-1