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

Systemtic Name: 3-[(4-aminophenyl)sulfonyl-[6-(3-naphthalen-2-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide Openeye Name: 3-[(4-aminophenyl)sulfonyl-[1-(hydroxymethyl)-5-[3-(2-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propanamide CAS Name: 3-[(4-aminophenyl)sulfonyl-[1-hydroxy-6-[[3-(2-naphthalenyl)-1-oxopropyl]amino]hexan-2-yl]amino]-2-methylpropanamide IUPAC Name: 3-[(4-aminophenyl)sulfonyl-[1-hydroxy-6-(3-naphthalen-2-ylpropanoylamino)hexan-2-yl]amino]-2-methylpropanamide Traditional Name: 2-methyl-3-[[1-methylol-5-[3-(2-naphthyl)propanoylamino]pentyl]-sulfanilyl-amino]propionamide Formula: C29H38N4O5S MolecularWeight: 554.70082

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C(CCCCNC(=O)CCC1=CC2=CC=CC=C2C=C1)CO)S(=O)(=O)C3=CC=C(C=C3)N)C(=O)N

Isomeric SMILES

CC(CN(C(CCCCNC(=O)CCC1=CC2=CC=CC=C2C=C1)CO)S(=O)(=O)C3=CC=C(C=C3)N)C(=O)N

InChI

InChI=1S/C29H38N4O5S/c1-21(29(31)36)19-33(39(37,38)27-14-12-25(30)13-15-27)26(20-34)8-4-5-17-32-28(35)16-10-22-9-11-23-6-2-3-7-24(23)18-22/h2-3,6-7,9,11-15,18,21,26,34H,4-5,8,10,16-17,19-20,30H2,1H3,(H2,31,36)(H,32,35)