(4-methylpiperazin-1-yl) N-[1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl]sulfamate

Systemtic Name: (4-methylpiperazin-1-yl) N-[1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl]sulfamate Openeye Name: (4-methylpiperazin-1-yl) N-[1-(3,3-dimethyl-2H-benzofuran-5-yl)ethyl]sulfamate CAS Name: N-[1-(3,3-dimethyl-2H-benzofuran-5-yl)ethyl]sulfamic acid (4-methyl-1-piperazinyl) ester IUPAC Name: (4-methylpiperazin-1-yl) N-[1-(3,3-dimethyl-2H-1-benzofuran-5-yl)ethyl]sulfamate Traditional Name: N-[1-(3,3-dimethylcoumaran-5-yl)ethyl]sulfamic acid (4-methylpiperazino) ester Formula: C17H27N3O4S MolecularWeight: 369.47898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC2(C)C)NS(=O)(=O)ON3CCN(CC3)C

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC2(C)C)NS(=O)(=O)ON3CCN(CC3)C

InChI

InChI=1S/C17H27N3O4S/c1-13(14-5-6-16-15(11-14)17(2,3)12-23-16)18-25(21,22)24-20-9-7-19(4)8-10-20/h5-6,11,13,18H,7-10,12H2,1-4H3