N-[(E,2S)-4-(11-azanyl-11-oxidanylidene-undecyl)sulfonyl-1-(4-hydroxyphenyl)but-3-en-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(E,2S)-4-(11-azanyl-11-oxidanylidene-undecyl)sulfonyl-1-(4-hydroxyphenyl)but-3-en-2-yl]-2-methoxy-benzamide Openeye Name: N-[(E,1S)-3-(11-amino-11-oxo-undecyl)sulfonyl-1-[(4-hydroxyphenyl)methyl]allyl]-2-methoxy-benzamide CAS Name: N-[(E,2S)-4-(11-amino-11-oxoundecyl)sulfonyl-1-(4-hydroxyphenyl)but-3-en-2-yl]-2-methoxybenzamide IUPAC Name: N-[(E,2S)-4-(11-amino-11-oxoundecyl)sulfonyl-1-(4-hydroxyphenyl)but-3-en-2-yl]-2-methoxybenzamide Traditional Name: N-[(E,1S)-3-(11-amino-11-keto-undecyl)sulfonyl-1-(4-hydroxybenzyl)allyl]-2-methoxy-benzamide Formula: C29H40N2O6S MolecularWeight: 544.7027

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CC2=CC=C(C=C2)O)C=CS(=O)(=O)CCCCCCCCCCC(=O)N

Isomeric SMILES

COC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=C(C=C2)O)/C=C/S(=O)(=O)CCCCCCCCCCC(=O)N

InChI

InChI=1S/C29H40N2O6S/c1-37-27-13-10-9-12-26(27)29(34)31-24(22-23-15-17-25(32)18-16-23)19-21-38(35,36)20-11-7-5-3-2-4-6-8-14-28(30)33/h9-10,12-13,15-19,21,24,32H,2-8,11,14,20,22H2,1H3,(H2,30,33)(H,31,34)/b21-19+/t24-/m1/s1