1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodanyl-4-methoxy-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodanyl-4-methoxy-phenyl)sulfonyl-piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodo-4-methoxy-phenyl)sulfonyl-piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodo-4-methoxyphenyl)sulfonylpiperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-iodo-4-methoxyphenyl)sulfonylpiperazine Traditional Name: 1-(3-iodo-4-methoxy-phenyl)sulfonyl-4-piperonyl-piperazine Formula: C19H21IN2O5S MolecularWeight: 516.34991

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)I

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)I

InChI

InChI=1S/C19H21IN2O5S/c1-25-17-5-3-15(11-16(17)20)28(23,24)22-8-6-21(7-9-22)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3