phenyl 4-(3-iodanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-benzenesulfonate

Systemtic Name: phenyl 4-(3-iodanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-benzenesulfonate Openeye Name: phenyl 4-(3-iodopiperazin-1-yl)-3-isopropylsulfonyl-benzenesulfonate CAS Name: 4-(3-iodo-1-piperazinyl)-3-propan-2-ylsulfonylbenzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-iodopiperazin-1-yl)-3-propan-2-ylsulfonylbenzenesulfonate Traditional Name: 4-(3-iodopiperazino)-3-isopropylsulfonyl-benzenesulfonic acid phenyl ester Formula: C19H23IN2O5S2 MolecularWeight: 550.43079

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23IN2O5S2/c1-14(2)28(23,24)18-12-16(29(25,26)27-15-6-4-3-5-7-15)8-9-17(18)22-11-10-21-19(20)13-22/h3-9,12,14,19,21H,10-11,13H2,1-2H3