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

Systemtic Name: sodium N-[4-[4-(3-phenylpropyl)piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(3-phenylpropyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-(3-phenylpropyl)-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-(3-phenylpropyl)piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(3-phenylpropyl)piperazino]phenyl]sulfamate Formula: C19H24N3NaO3S MolecularWeight: 397.46693

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H25N3O3S.Na/c23-26(24,25)20-18-8-10-19(11-9-18)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17;/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,23,24,25);/q;+1/p-1