phenyl 4-[2-(iodanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(iodanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(iodoamino)-1-(3-isopropylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(iodoamino)-1-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(iodoamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(iodoamino)-1-(3-isopropylsulfonylpiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C21H28IN3O5S2 MolecularWeight: 593.49859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNI)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNI)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C21H28IN3O5S2/c1-16(2)31(26,27)21-15-25(13-12-23-21)20(14-24-22)17-8-10-19(11-9-17)32(28,29)30-18-6-4-3-5-7-18/h3-11,16,20-21,23-24H,12-15H2,1-2H3