N-[1-[[4-[2-cyano-2-(phenylsulfonyl)ethanoyl]-2-methoxy-phenyl]methyl]indol-6-yl]-2-ethyl-hexanamide

Systemtic Name: N-[1-[[4-[2-cyano-2-(phenylsulfonyl)ethanoyl]-2-methoxy-phenyl]methyl]indol-6-yl]-2-ethyl-hexanamide Openeye Name: N-[1-[[4-[2-(benzenesulfonyl)-2-cyano-acetyl]-2-methoxy-phenyl]methyl]indol-6-yl]-2-ethyl-hexanamide CAS Name: N-[1-[[4-[2-(benzenesulfonyl)-2-cyano-1-oxoethyl]-2-methoxyphenyl]methyl]-6-indolyl]-2-ethylhexanamide IUPAC Name: N-[1-[[4-[2-(benzenesulfonyl)-2-cyanoacetyl]-2-methoxyphenyl]methyl]indol-6-yl]-2-ethylhexanamide Traditional Name: N-[1-[4-(2-besyl-2-cyano-acetyl)-2-methoxy-benzyl]indol-6-yl]-2-ethyl-hexanamide Formula: C33H35N3O5S MolecularWeight: 585.7131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

CCCCC(CC)C(=O)NC1=CC2=C(C=C1)C=CN2CC3=C(C=C(C=C3)C(=O)C(C#N)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C33H35N3O5S/c1-4-6-10-23(5-2)33(38)35-27-16-15-24-17-18-36(29(24)20-27)22-26-14-13-25(19-30(26)41-3)32(37)31(21-34)42(39,40)28-11-8-7-9-12-28/h7-9,11-20,23,31H,4-6,10,22H2,1-3H3,(H,35,38)