phenyl 4-[1-(4-ethylphenyl)-2-(iodanylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-(4-ethylphenyl)-2-(iodanylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-ethylphenyl)-2-(iodoamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-(4-ethylphenyl)-2-(iodoamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-ethylphenyl)-2-(iodoamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-ethylphenyl)-2-(iodoamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H26IN3O3S MolecularWeight: 515.40821

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNI)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNI)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C20H26IN3O3S/c1-2-16-8-10-17(11-9-16)19(14-23-21)24-13-12-22-20(15-24)28(25,26)27-18-6-4-3-5-7-18/h3-11,19-20,22-23H,2,12-15H2,1H3