N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[5-fluoranyl-2-(naphthalen-2-ylsulfonylamino)-1H-indol-3-yl]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[5-fluoranyl-2-(naphthalen-2-ylsulfonylamino)-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[5-fluoro-2-(2-naphthylsulfonylamino)-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[5-fluoro-2-(2-naphthalenylsulfonylamino)-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[5-fluoro-2-(naphthalen-2-ylsulfonylamino)-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[5-fluoro-2-(2-naphthylsulfonylamino)-1H-indol-3-yl]propionamide Formula: C28H31FN6O3S MolecularWeight: 550.647543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=C2C=C(C=C3)F)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=C2C=C(C=C3)F)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H31FN6O3S/c29-21-8-11-25-24(15-21)23(10-12-26(36)32-16-18-4-3-13-35(17-18)28(30)31)27(33-25)34-39(37,38)22-9-7-19-5-1-2-6-20(19)14-22/h1-2,5-9,11,14-15,18,33-34H,3-4,10,12-13,16-17H2,(H3,30,31)(H,32,36)