[2-(3-chloranylpiperazin-1-yl)-4-propyl-phenyl]sulfamic acid

Systemtic Name: [2-(3-chloranylpiperazin-1-yl)-4-propyl-phenyl]sulfamic acid Openeye Name: [2-(3-chloropiperazin-1-yl)-4-propyl-phenyl]sulfamic acid CAS Name: [2-(3-chloro-1-piperazinyl)-4-propylphenyl]sulfamic acid IUPAC Name: [2-(3-chloropiperazin-1-yl)-4-propylphenyl]sulfamic acid Traditional Name: [2-(3-chloropiperazino)-4-propyl-phenyl]sulfamic acid Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)Cl

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)O)N2CCNC(C2)Cl

InChI

InChI=1S/C13H20ClN3O3S/c1-2-3-10-4-5-11(16-21(18,19)20)12(8-10)17-7-6-15-13(14)9-17/h4-5,8,13,15-16H,2-3,6-7,9H2,1H3,(H,18,19,20)