4-(cyclooct-2-yn-1-ylmethyl)-N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]benzamide

Systemtic Name: 4-(cyclooct-2-yn-1-ylmethyl)-N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]benzamide Openeye Name: 4-(cyclooct-2-yn-1-ylmethyl)-N-[2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]ethyl]benzamide CAS Name: 4-(1-cyclooct-2-ynylmethyl)-N-[2-[[5-(dimethylamino)-1-naphthalenyl]sulfonylamino]ethyl]benzamide IUPAC Name: 4-(cyclooct-2-yn-1-ylmethyl)-N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]benzamide Traditional Name: 4-(cyclooct-2-yn-1-ylmethyl)-N-[2-(naphthionylamino)ethyl]benzamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCNC(=O)C3=CC=C(C=C3)CC4CCCCCC#C4

Isomeric SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCNC(=O)C3=CC=C(C=C3)CC4CCCCCC#C4

InChI

InChI=1S/C30H35N3O3S/c1-33(2)28-14-8-13-27-26(28)12-9-15-29(27)37(35,36)32-21-20-31-30(34)25-18-16-24(17-19-25)22-23-10-6-4-3-5-7-11-23/h8-9,12-19,23,32H,3-6,10,20-22H2,1-2H3,(H,31,34)