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

Systemtic Name: sodium N-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]sulfamate Openeye Name: sodium N-[4-[4-(m-tolylmethyl)piperazin-1-yl]phenyl]sulfamate CAS Name: sodium N-[4-[4-[(3-methylphenyl)methyl]-1-piperazinyl]phenyl]sulfamate IUPAC Name: sodium N-[4-[4-[(3-methylphenyl)methyl]piperazin-1-yl]phenyl]sulfamate Traditional Name: sodium N-[4-[4-(3-methylbenzyl)piperazino]phenyl]sulfamate Formula: C18H22N3NaO3S MolecularWeight: 383.44035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C3=CC=C(C=C3)NS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H23N3O3S.Na/c1-15-3-2-4-16(13-15)14-20-9-11-21(12-10-20)18-7-5-17(6-8-18)19-25(22,23)24;/h2-8,13,19H,9-12,14H2,1H3,(H,22,23,24);/q;+1/p-1