N-[1-(morpholin-4-ylcarbamoylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-[[(E)-2-phenethylsulfonylethenyl]amino]-4-phenyl-butanamide

Systemtic Name: N-[1-(morpholin-4-ylcarbamoylamino)-3-naphthalen-2-yl-1-oxidanylidene-propan-2-yl]-2-[[(E)-2-phenethylsulfonylethenyl]amino]-4-phenyl-butanamide Openeye Name: N-[2-(morpholinocarbamoylamino)-1-(2-naphthylmethyl)-2-oxo-ethyl]-2-[[(E)-2-phenethylsulfonylvinyl]amino]-4-phenyl-butanamide CAS Name: N-[1-[[(4-morpholinylamino)-oxomethyl]amino]-3-(2-naphthalenyl)-1-oxopropan-2-yl]-2-[[(E)-2-phenethylsulfonylethenyl]amino]-4-phenylbutanamide IUPAC Name: N-[1-(morpholin-4-ylcarbamoylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-[[(E)-2-phenethylsulfonylethenyl]amino]-4-phenylbutanamide Traditional Name: N-[2-keto-2-(morpholinocarbamoylamino)-1-(2-naphthylmethyl)ethyl]-2-[[(E)-2-phenethylsulfonylvinyl]amino]-4-phenyl-butyramide Formula: C38H43N5O6S MolecularWeight: 697.84292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCC4=CC=CC=C4)NC=CS(=O)(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1COCCN1NC(=O)NC(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CCC4=CC=CC=C4)N/C=C/S(=O)(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C38H43N5O6S/c44-36(34(18-16-29-9-3-1-4-10-29)39-20-26-50(47,48)25-19-30-11-5-2-6-12-30)40-35(28-31-15-17-32-13-7-8-14-33(32)27-31)37(45)41-38(46)42-43-21-23-49-24-22-43/h1-15,17,20,26-27,34-35,39H,16,18-19,21-25,28H2,(H,40,44)(H2,41,42,45,46)/b26-20+