1-(4-iodanyl-2-propan-2-ylsulfonyl-phenyl)-3-(phenylmethyl)piperazine

Systemtic Name: 1-(4-iodanyl-2-propan-2-ylsulfonyl-phenyl)-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-(4-iodo-2-isopropylsulfonyl-phenyl)piperazine CAS Name: 1-(4-iodo-2-propan-2-ylsulfonylphenyl)-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-(4-iodo-2-propan-2-ylsulfonylphenyl)piperazine Traditional Name: 3-benzyl-1-(4-iodo-2-isopropylsulfonyl-phenyl)piperazine Formula: C20H25IN2O2S MolecularWeight: 484.39417

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)I)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)I)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25IN2O2S/c1-15(2)26(24,25)20-13-17(21)8-9-19(20)23-11-10-22-18(14-23)12-16-6-4-3-5-7-16/h3-9,13,15,18,22H,10-12,14H2,1-2H3