N-[1-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-non-8-en-3-yl]-2-but-3-enoxy-3-oxidanyl-benzamide

Systemtic Name: N-[1-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-oxidanyl-non-8-en-3-yl]-2-but-3-enoxy-3-oxidanyl-benzamide Openeye Name: N-[1-[2-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-hydroxy-ethyl]hept-6-enyl]-2-but-3-enoxy-3-hydroxy-benzamide CAS Name: N-[1-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxynon-8-en-3-yl]-2-but-3-enoxy-3-hydroxybenzamide IUPAC Name: N-[1-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-2-hydroxynon-8-en-3-yl]-2-but-3-enoxy-3-hydroxybenzamide Traditional Name: N-[1-[2-[1,3-benzodioxol-5-ylsulfonyl(isobutyl)amino]-1-hydroxy-ethyl]hept-6-enyl]-2-but-3-enoxy-3-hydroxy-benzamide Formula: C31H42N2O8S MolecularWeight: 602.73878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CCCCC=C)NC(=O)C1=C(C(=CC=C1)O)OCCC=C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CN(CC(C(CCCCC=C)NC(=O)C1=C(C(=CC=C1)O)OCCC=C)O)S(=O)(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C31H42N2O8S/c1-5-7-9-10-13-25(32-31(36)24-12-11-14-26(34)30(24)39-17-8-6-2)27(35)20-33(19-22(3)4)42(37,38)23-15-16-28-29(18-23)41-21-40-28/h5-6,11-12,14-16,18,22,25,27,34-35H,1-2,7-10,13,17,19-21H2,3-4H3,(H,32,36)