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

Systemtic Name: phenyl 4-[2-(iodanylamino)-1-[4-(2-methylpropyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(iodoamino)-1-(4-isobutylphenyl)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(iodoamino)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(iodoamino)-1-[4-(2-methylpropyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(iodoamino)-1-(4-isobutylphenyl)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H30IN3O3S MolecularWeight: 543.46137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30IN3O3S/c1-17(2)14-18-8-10-19(11-9-18)21(15-25-23)26-13-12-24-22(16-26)30(27,28)29-20-6-4-3-5-7-20/h3-11,17,21-22,24-25H,12-16H2,1-2H3