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

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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)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)C4=CC=CC=N4)NC(=O)CC

InChI

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