[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-iodanylbenzoate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-iodanylbenzoate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H20INO4S MolecularWeight: 521.36797

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3I)C

InChI

InChI=1S/C22H20INO4S/c1-15-8-13-19(14-16(15)2)29(26,27)24(3)17-9-11-18(12-10-17)28-22(25)20-6-4-5-7-21(20)23/h4-14H,1-3H3