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

Systemtic Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]sulfamic acid Openeye Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-propyl-phenyl]sulfamic acid CAS Name: [2-[3-(methylthio)-1-piperazinyl]-4-propylphenyl]sulfamic acid IUPAC Name: [2-(3-methylsulfanylpiperazin-1-yl)-4-propylphenyl]sulfamic acid Traditional Name: [2-[3-(methylthio)piperazino]-4-propyl-phenyl]sulfamic acid Formula: C14H23N3O3S2 MolecularWeight: 345.48072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O3S2/c1-3-4-11-5-6-12(16-22(18,19)20)13(9-11)17-8-7-15-14(10-17)21-2/h5-6,9,14-16H,3-4,7-8,10H2,1-2H3,(H,18,19,20)