phenyl N-[2-(3-oxidanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate

Systemtic Name: phenyl N-[2-(3-oxidanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Openeye Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamate CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamic acid phenyl ester IUPAC Name: phenyl N-[2-(3-hydroxypiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]sulfamate Traditional Name: N-[2-(3-hydroxypiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]sulfamic acid phenyl ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C21H29N3O6S2/c1-16(2)31(26,27)19-10-8-17(9-11-19)20(24-13-12-22-21(25)15-24)14-23-32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-23,25H,12-15H2,1-2H3