[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 3-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 3-(azepan-1-ylsulfonyl)benzoate CAS Name: 3-(1-azepanylsulfonyl)benzoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 3-(azepan-1-ylsulfonyl)benzoate Traditional Name: 3-(azepan-1-ylsulfonyl)benzoic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C21H23IN2O5S MolecularWeight: 542.38719

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)I

InChI

InChI=1S/C21H23IN2O5S/c22-17-8-6-9-18(14-17)23-20(25)15-29-21(26)16-7-5-10-19(13-16)30(27,28)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12,15H2,(H,23,25)