methyl N-[2-(3-chloranylpiperazin-1-yl)-4-ethyl-phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-chloranylpiperazin-1-yl)-4-ethyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-chloropiperazin-1-yl)-4-ethyl-phenyl]sulfamate CAS Name: N-[2-(3-chloro-1-piperazinyl)-4-ethylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-chloropiperazin-1-yl)-4-ethylphenyl]sulfamate Traditional Name: N-[2-(3-chloropiperazino)-4-ethyl-phenyl]sulfamic acid methyl ester Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Cl

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Cl

InChI

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