[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C21H22IN3O6S MolecularWeight: 571.38535

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C21H22IN3O6S/c1-15(26)24-8-10-25(11-9-24)32(29,30)19-7-2-4-16(12-19)21(28)31-14-20(27)23-18-6-3-5-17(22)13-18/h2-7,12-13H,8-11,14H2,1H3,(H,23,27)