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

Systemtic Name: 2-[(3-butylphenyl)methylsulfonyl-(3-iodanylprop-2-ynyl)amino]-N-ethanoyl-ethanamide Openeye Name: N-acetyl-2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetamide CAS Name: N-acetyl-2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetamide IUPAC Name: N-acetyl-2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetamide Traditional Name: N-acetyl-2-[(3-butylbenzyl)sulfonyl-(3-iodoprop-2-ynyl)amino]acetamide Formula: C18H23IN2O4S MolecularWeight: 490.35569

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23IN2O4S/c1-3-4-7-16-8-5-9-17(12-16)14-26(24,25)21(11-6-10-19)13-18(23)20-15(2)22/h5,8-9,12H,3-4,7,11,13-14H2,1-2H3,(H,20,22,23)