N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodanylprop-2-ynyl)amino]ethanoyl]propanamide

Systemtic Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodanylprop-2-ynyl)amino]ethanoyl]propanamide Openeye Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]propanamide CAS Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]-1-oxoethyl]propanamide IUPAC Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]propanamide Traditional Name: N-[2-[(3-butylbenzyl)sulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]propionamide Formula: C19H25IN2O4S MolecularWeight: 504.38227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#CI)CC(=O)NC(=O)CC

Isomeric SMILES

CCCCC1=CC(=CC=C1)CS(=O)(=O)N(CC#CI)CC(=O)NC(=O)CC

InChI

InChI=1S/C19H25IN2O4S/c1-3-5-8-16-9-6-10-17(13-16)15-27(25,26)22(12-7-11-20)14-19(24)21-18(23)4-2/h6,9-10,13H,3-5,8,12,14-15H2,1-2H3,(H,21,23,24)