phenyl 4-(2-ethyl-4-iodanyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(2-ethyl-4-iodanyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-ethyl-4-iodo-phenyl)piperazine-2-sulfonate CAS Name: 4-(2-ethyl-4-iodophenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-ethyl-4-iodophenyl)piperazine-2-sulfonate Traditional Name: 4-(2-ethyl-4-iodo-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C18H21IN2O3S MolecularWeight: 472.34041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN2O3S/c1-2-14-12-15(19)8-9-17(14)21-11-10-20-18(13-21)25(22,23)24-16-6-4-3-5-7-16/h3-9,12,18,20H,2,10-11,13H2,1H3