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

Systemtic Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodanylprop-2-ynyl)amino]ethanoyl]pentanamide Openeye Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]pentanamide CAS Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]-1-oxoethyl]pentanamide IUPAC Name: N-[2-[(3-butylphenyl)methylsulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]pentanamide Traditional Name: N-[2-[(3-butylbenzyl)sulfonyl-(3-iodoprop-2-ynyl)amino]acetyl]valeramide Formula: C21H29IN2O4S MolecularWeight: 532.43543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29IN2O4S/c1-3-5-9-18-10-7-11-19(15-18)17-29(27,28)24(14-8-13-22)16-21(26)23-20(25)12-6-4-2/h7,10-11,15H,3-6,9,12,14,16-17H2,1-2H3,(H,23,25,26)