2-[4-(3-iodanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[4-(3-iodanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[4-(3-iodopiperazin-1-yl)-3-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[4-(3-iodo-1-piperazinyl)-3-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[4-(3-iodopiperazin-1-yl)-3-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[4-(3-iodopiperazino)-3-isopropylsulfonyl-phenyl]phenol Formula: C19H23IN2O3S MolecularWeight: 486.36699

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)I

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)I

InChI

InChI=1S/C19H23IN2O3S/c1-13(2)26(24,25)18-11-14(15-5-3-4-6-17(15)23)7-8-16(18)22-10-9-21-19(20)12-22/h3-8,11,13,19,21,23H,9-10,12H2,1-2H3