carbamimidoyl 2-[2-(naphthalen-1-ylsulfonylamino)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: carbamimidoyl 2-[2-(naphthalen-1-ylsulfonylamino)ethanoylamino]-3-phenyl-propanoate Openeye Name: carbamimidoyl 2-[[2-(1-naphthylsulfonylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-(1-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-phenylpropanoic acid carbamimidoyl ester IUPAC Name: carbamimidoyl 2-[[2-(naphthalen-1-ylsulfonylamino)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(1-naphthylsulfonylamino)acetyl]amino]-3-phenyl-propionic acid amidino ester Formula: C22H22N4O5S MolecularWeight: 454.49888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC(=N)N)NC(=O)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC(=N)N)NC(=O)CNS(=O)(=O)C2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H22N4O5S/c23-22(24)31-21(28)18(13-15-7-2-1-3-8-15)26-20(27)14-25-32(29,30)19-12-6-10-16-9-4-5-11-17(16)19/h1-12,18,25H,13-14H2,(H3,23,24)(H,26,27)