phenyl 4-[2-(ethoxyamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(ethoxyamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(ethoxyamino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(ethoxyamino)-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(ethoxyamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(ethoxyamino)-1-(3-isopropylsulfonylpiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C23H33N3O6S2 MolecularWeight: 511.65462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O6S2/c1-4-31-25-16-22(26-15-14-24-23(17-26)33(27,28)18(2)3)19-10-12-21(13-11-19)34(29,30)32-20-8-6-5-7-9-20/h5-13,18,22-25H,4,14-17H2,1-3H3