3-[1,3-benzodioxol-5-ylsulfonyl-[6-(3-naphthalen-1-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide

Systemtic Name: 3-[1,3-benzodioxol-5-ylsulfonyl-[6-(3-naphthalen-1-ylpropanoylamino)-1-oxidanyl-hexan-2-yl]amino]-2-methyl-propanamide Openeye Name: 3-[1,3-benzodioxol-5-ylsulfonyl-[1-(hydroxymethyl)-5-[3-(1-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propanamide CAS Name: 3-[1,3-benzodioxol-5-ylsulfonyl-[1-hydroxy-6-[[3-(1-naphthalenyl)-1-oxopropyl]amino]hexan-2-yl]amino]-2-methylpropanamide IUPAC Name: 3-[1,3-benzodioxol-5-ylsulfonyl-[1-hydroxy-6-(3-naphthalen-1-ylpropanoylamino)hexan-2-yl]amino]-2-methylpropanamide Traditional Name: 3-[1,3-benzodioxol-5-ylsulfonyl-[1-methylol-5-[3-(1-naphthyl)propanoylamino]pentyl]amino]-2-methyl-propionamide Formula: C30H37N3O7S MolecularWeight: 583.69568

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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=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CC(CN(C(CCCCNC(=O)CCC1=CC=CC2=CC=CC=C21)CO)S(=O)(=O)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C30H37N3O7S/c1-21(30(31)36)18-33(41(37,38)25-13-14-27-28(17-25)40-20-39-27)24(19-34)10-4-5-16-32-29(35)15-12-23-9-6-8-22-7-2-3-11-26(22)23/h2-3,6-9,11,13-14,17,21,24,34H,4-5,10,12,15-16,18-20H2,1H3,(H2,31,36)(H,32,35)