sodium N-[3-[4-(3-phenylpropanoyl)piperazin-1-yl]phenyl]sulfamate

Systemtic Name: sodium N-[3-[4-(3-phenylpropanoyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[3-[4-(3-phenylpropanoyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[3-[4-(1-oxo-3-phenylpropyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[3-[4-(3-phenylpropanoyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[3-(4-hydrocinnamoylpiperazino)phenyl]sulfamate Formula: C19H22N3NaO4S MolecularWeight: 411.45045

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)NS(=O)(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)NS(=O)(=O)[O-])C(=O)CCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C19H23N3O4S.Na/c23-19(10-9-16-5-2-1-3-6-16)22-13-11-21(12-14-22)18-8-4-7-17(15-18)20-27(24,25)26;/h1-8,15,20H,9-14H2,(H,24,25,26);/q;+1/p-1