N-[2-[[5-(6-azanylpyridin-3-yl)-1-(4-ethylpiperidin-3-yl)-1-oxidanylidene-pentan-2-yl]sulfamoyl]-6-pyridin-2-yl-phenyl]propanamide

Systemtic Name: N-[2-[[5-(6-azanylpyridin-3-yl)-1-(4-ethylpiperidin-3-yl)-1-oxidanylidene-pentan-2-yl]sulfamoyl]-6-pyridin-2-yl-phenyl]propanamide Openeye Name: N-[2-[[4-(6-amino-3-pyridyl)-1-(4-ethylpiperidine-3-carbonyl)butyl]sulfamoyl]-6-(2-pyridyl)phenyl]propanamide CAS Name: N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethyl-3-piperidinyl)-1-oxopentan-2-yl]sulfamoyl]-6-(2-pyridinyl)phenyl]propanamide IUPAC Name: N-[2-[[5-(6-aminopyridin-3-yl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-6-pyridin-2-ylphenyl]propanamide Traditional Name: N-[2-[[4-(6-amino-3-pyridyl)-1-(4-ethylnipecotoyl)butyl]sulfamoyl]-6-(2-pyridyl)phenyl]propionamide Formula: C31H40N6O4S MolecularWeight: 592.7521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCNCC1C(=O)C(CCCC2=CN=C(C=C2)N)NS(=O)(=O)C3=CC=CC(=C3NC(=O)CC)C4=CC=CC=N4

Isomeric SMILES

CCC1CCNCC1C(=O)C(CCCC2=CN=C(C=C2)N)NS(=O)(=O)C3=CC=CC(=C3NC(=O)CC)C4=CC=CC=N4

InChI

InChI=1S/C31H40N6O4S/c1-3-22-16-18-33-20-24(22)31(39)26(12-7-9-21-14-15-28(32)35-19-21)37-42(40,41)27-13-8-10-23(25-11-5-6-17-34-25)30(27)36-29(38)4-2/h5-6,8,10-11,13-15,17,19,22,24,26,33,37H,3-4,7,9,12,16,18,20H2,1-2H3,(H2,32,35)(H,36,38)