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

Systemtic Name: sodium N-[4-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-(2-benzofuranylmethyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(benzofuran-2-ylmethyl)piperazino]phenyl]sulfamate Formula: C19H20N3NaO4S MolecularWeight: 409.43457

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H21N3O4S.Na/c23-27(24,25)20-16-5-7-17(8-6-16)22-11-9-21(10-12-22)14-18-13-15-3-1-2-4-19(15)26-18;/h1-8,13,20H,9-12,14H2,(H,23,24,25);/q;+1/p-1