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

Systemtic Name: 3-iodanyl-1-[4-(phenylmethyl)-2-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 1-(4-benzyl-2-isopropylsulfonyl-phenyl)-3-iodo-piperazine CAS Name: 3-iodo-1-[4-(phenylmethyl)-2-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 1-(4-benzyl-2-propan-2-ylsulfonylphenyl)-3-iodopiperazine Traditional Name: 1-(4-benzyl-2-isopropylsulfonyl-phenyl)-3-iodo-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)CC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)CC2=CC=CC=C2)N3CCNC(C3)I

InChI

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