methyl N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate

Systemtic Name: methyl N-[2-(3-fluoranylpiperazin-1-yl)-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-(3-fluoro-1-piperazinyl)-4-propan-2-ylsulfonylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-(3-fluoropiperazin-1-yl)-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-(3-fluoropiperazino)-4-isopropylsulfonyl-phenyl]sulfamic acid methyl ester Formula: C14H22FN3O5S2 MolecularWeight: 395.469983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)F

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)F

InChI

InChI=1S/C14H22FN3O5S2/c1-10(2)24(19,20)11-4-5-12(17-25(21,22)23-3)13(8-11)18-7-6-16-14(15)9-18/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3