N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-oxidanylpyridin-1-ium-3-yl)methyl]-3-phenyl-propanamide

Systemtic Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-oxidanylpyridin-1-ium-3-yl)methyl]-3-phenyl-propanamide Openeye Name: N-[3-[(4-ethylphenyl)sulfonylamino]indan-5-yl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-3-phenyl-propanamide CAS Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-hydroxy-3-pyridin-1-iumyl)methyl]-3-phenylpropanamide IUPAC Name: N-[3-[(4-ethylphenyl)sulfonylamino]-2,3-dihydro-1H-inden-5-yl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-3-phenylpropanamide Traditional Name: N-[3-[(4-ethylphenyl)sulfonylamino]indan-5-yl]-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-3-phenyl-propionamide Formula: C32H34N3O4S+ MolecularWeight: 556.69506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2CCC3=C2C=C(C=C3)N(CC4=C[N+](=CC=C4)O)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2CCC3=C2C=C(C=C3)N(CC4=C[N+](=CC=C4)O)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C32H34N3O4S/c1-2-24-10-16-29(17-11-24)40(38,39)33-31-18-14-27-13-15-28(21-30(27)31)35(23-26-9-6-20-34(37)22-26)32(36)19-12-25-7-4-3-5-8-25/h3-11,13,15-17,20-22,31,33,37H,2,12,14,18-19,23H2,1H3/q+1