N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)pentanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)pentanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)pentanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)pentanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)pentanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(octylsulfonylamino)valeramide Formula: C23H34N4O5S2 MolecularWeight: 510.66986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)NC(C(C)CC)C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCCCCCS(=O)(=O)NC(C(C)CC)C(=O)NC1=NN=C(S1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H34N4O5S2/c1-4-6-7-8-9-10-13-34(29,30)27-20(16(3)5-2)21(28)24-23-26-25-22(33-23)17-11-12-18-19(14-17)32-15-31-18/h11-12,14,16,20,27H,4-10,13,15H2,1-3H3,(H,24,26,28)