phenyl 4-[2-(methoxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(methoxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-isopropylsulfonylphenyl)-2-(methoxyamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(methoxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(methoxyamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-isopropylsulfonylphenyl)-2-(methoxyamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNOC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNOC)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O6S2/c1-17(2)32(26,27)20-11-9-18(10-12-20)21(15-24-30-3)25-14-13-23-22(16-25)33(28,29)31-19-7-5-4-6-8-19/h4-12,17,21-24H,13-16H2,1-3H3