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

Systemtic Name: methyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propan-2-ylsulfonyl-phenyl]sulfamate Openeye Name: methyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-isopropylsulfonyl-phenyl]sulfamate CAS Name: N-[2-[3-(2-hydroxyphenyl)-1-piperazinyl]-4-propan-2-ylsulfonylphenyl]sulfamic acid methyl ester IUPAC Name: methyl N-[2-[3-(2-hydroxyphenyl)piperazin-1-yl]-4-propan-2-ylsulfonylphenyl]sulfamate Traditional Name: N-[2-[3-(2-hydroxyphenyl)piperazino]-4-isopropylsulfonyl-phenyl]sulfamic acid methyl ester Formula: C20H27N3O6S2 MolecularWeight: 469.57488

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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)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)OC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H27N3O6S2/c1-14(2)30(25,26)15-8-9-17(22-31(27,28)29-3)19(12-15)23-11-10-21-18(13-23)16-6-4-5-7-20(16)24/h4-9,12,14,18,21-22,24H,10-11,13H2,1-3H3