sodium N-[4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: sodium N-[4-[4-(2-phenylethanoyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-(1-oxo-2-phenylethyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(2-phenylacetyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(2-phenylacetyl)piperazino]phenyl]sulfamate Formula: C18H20N3NaO4S MolecularWeight: 397.42387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)CC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NS(=O)(=O)[O-])C(=O)CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C18H21N3O4S.Na/c22-18(14-15-4-2-1-3-5-15)21-12-10-20(11-13-21)17-8-6-16(7-9-17)19-26(23,24)25;/h1-9,19H,10-14H2,(H,23,24,25);/q;+1/p-1