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

Systemtic Name: methyl N-[2-(3-chloranylpiperazin-1-yl)-4-methyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-chloropiperazin-1-yl)-4-methyl-phenyl]sulfamate CAS Name: N-[2-(3-chloro-1-piperazinyl)-4-methylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-chloropiperazin-1-yl)-4-methylphenyl]sulfamate Traditional Name: N-[2-(3-chloropiperazino)-4-methyl-phenyl]sulfamic acid methyl ester Formula: C12H18ClN3O3S MolecularWeight: 319.80762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)Cl

InChI

InChI=1S/C12H18ClN3O3S/c1-9-3-4-10(15-20(17,18)19-2)11(7-9)16-6-5-14-12(13)8-16/h3-4,7,12,14-15H,5-6,8H2,1-2H3