3-[(3-azanyl-4-fluoranyl-phenyl)sulfonyl-[6-(3-naphthalen-1-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide

Systemtic Name: 3-[(3-azanyl-4-fluoranyl-phenyl)sulfonyl-[6-(3-naphthalen-1-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide Openeye Name: 3-[(3-amino-4-fluoro-phenyl)sulfonyl-[1-(hydroxymethyl)-5-[3-(1-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propanamide CAS Name: 3-[(3-amino-4-fluorophenyl)sulfonyl-[1-hydroxy-6-[[3-(1-naphthalenyl)-1-oxopropyl]amino]hexan-2-yl]amino]-2-methylpropanamide IUPAC Name: 3-[(3-amino-4-fluorophenyl)sulfonyl-[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]amino]-2-methylpropanamide Traditional Name: 3-[(3-amino-4-fluoro-phenyl)sulfonyl-[1-methylol-5-[3-(1-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propionamide Formula: C29H37FN4O5S MolecularWeight: 572.691283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(CCCCNC(=O)CCC1=CC=CC2=CC=CC=C21)CO)S(=O)(=O)C3=CC(=C(C=C3)F)N)C(=O)N

Isomeric SMILES

CC(CN(C(CCCCNC(=O)CCC1=CC=CC2=CC=CC=C21)CO)S(=O)(=O)C3=CC(=C(C=C3)F)N)C(=O)N

InChI

InChI=1S/C29H37FN4O5S/c1-20(29(32)37)18-34(40(38,39)24-13-14-26(30)27(31)17-24)23(19-35)10-4-5-16-33-28(36)15-12-22-9-6-8-21-7-2-3-11-25(21)22/h2-3,6-9,11,13-14,17,20,23,35H,4-5,10,12,15-16,18-19,31H2,1H3,(H2,32,37)(H,33,36)