1-(5-iodanyl-2-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazine

Systemtic Name: 1-(5-iodanyl-2-methoxy-phenyl)sulfonyl-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-(5-iodo-2-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(5-iodo-2-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-(5-iodo-2-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-benzyl-4-(5-iodo-2-methoxy-phenyl)sulfonyl-piperazine Formula: C18H21IN2O3S MolecularWeight: 472.34041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)I)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)I)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H21IN2O3S/c1-24-17-8-7-16(19)13-18(17)25(22,23)21-11-9-20(10-12-21)14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3