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

Systemtic Name: phenyl 4-(4-iodanyl-2-methyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-iodo-2-methyl-phenyl)piperazine-2-sulfonate CAS Name: 4-(4-iodo-2-methylphenyl)-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-iodo-2-methylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-iodo-2-methyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C17H19IN2O3S MolecularWeight: 458.31383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)I)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H19IN2O3S/c1-13-11-14(18)7-8-16(13)20-10-9-19-17(12-20)24(21,22)23-15-5-3-2-4-6-15/h2-8,11,17,19H,9-10,12H2,1H3