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

Systemtic Name: sodium N-[4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(2-naphthylmethyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-(2-naphthalenylmethyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(2-naphthylmethyl)piperazino]phenyl]sulfamate Formula: C21H22N3NaO3S MolecularWeight: 419.47245

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H23N3O3S.Na/c25-28(26,27)22-20-7-9-21(10-8-20)24-13-11-23(12-14-24)16-17-5-6-18-3-1-2-4-19(18)15-17;/h1-10,15,22H,11-14,16H2,(H,25,26,27);/q;+1/p-1