N-[2-[[5-(6-azanylpyridin-3-yl)-1-(4-ethylpiperidin-3-yl)-1-oxidanylidene-pentan-2-yl]sulfamoyl]-4-bromanyl-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]-4-bromanyl-6-pyridin-2-yl-phenyl]propanamide Openeye Name: N-[2-[[4-(6-amino-3-pyridyl)-1-(4-ethylpiperidine-3-carbonyl)butyl]sulfamoyl]-4-bromo-6-(2-pyridyl)phenyl]propanamide CAS Name: N-[2-[[5-(6-amino-3-pyridinyl)-1-(4-ethyl-3-piperidinyl)-1-oxopentan-2-yl]sulfamoyl]-4-bromo-6-(2-pyridinyl)phenyl]propanamide IUPAC Name: N-[2-[[5-(6-aminopyridin-3-yl)-1-(4-ethylpiperidin-3-yl)-1-oxopentan-2-yl]sulfamoyl]-4-bromo-6-pyridin-2-ylphenyl]propanamide Traditional Name: N-[2-[[4-(6-amino-3-pyridyl)-1-(4-ethylnipecotoyl)butyl]sulfamoyl]-4-bromo-6-(2-pyridyl)phenyl]propionamide Formula: C31H39BrN6O4S MolecularWeight: 671.64816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39BrN6O4S/c1-3-21-13-15-34-19-24(21)31(40)26(10-7-8-20-11-12-28(33)36-18-20)38-43(41,42)27-17-22(32)16-23(25-9-5-6-14-35-25)30(27)37-29(39)4-2/h5-6,9,11-12,14,16-18,21,24,26,34,38H,3-4,7-8,10,13,15,19H2,1-2H3,(H2,33,36)(H,37,39)