phenyl 3-(3-fluoranylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-fluoranylpiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-fluoropiperazin-1-yl)-4-(isopropylsulfonylsulfonylamino)benzenesulfonate CAS Name: 3-(3-fluoro-1-piperazinyl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-fluoropiperazin-1-yl)-4-(propan-2-ylsulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-(3-fluoropiperazino)-4-(isopropylsulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C19H24FN3O7S3 MolecularWeight: 521.603163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C19H24FN3O7S3/c1-14(2)32(26,27)33(28,29)22-17-9-8-16(12-18(17)23-11-10-21-19(20)13-23)31(24,25)30-15-6-4-3-5-7-15/h3-9,12,14,19,21-22H,10-11,13H2,1-2H3