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

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

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

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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