N-[3-(4-methylpiperidin-1-yl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-oxidanylidene-propyl]-1-pyridin-4-yl-piperidine-4-carboxamide

Systemtic Name: N-[3-(4-methylpiperidin-1-yl)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-oxidanylidene-propyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[3-(4-methyl-1-piperidyl)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-oxo-propyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[3-(4-methyl-1-piperidinyl)-2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-oxopropyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[3-(4-methylpiperidin-1-yl)-2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-oxopropyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[3-keto-3-(4-methylpiperidino)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propyl]-1-(4-pyridyl)isonipecotamide Formula: C32H40N6O5S MolecularWeight: 620.7622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(CNC(=O)C2CCN(CC2)C3=CC=NC=C3)NC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C(CNC(=O)C2CCN(CC2)C3=CC=NC=C3)NC(=O)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C32H40N6O5S/c1-23-10-16-38(17-11-23)32(41)29(21-34-31(40)25-12-18-37(19-13-25)27-8-14-33-15-9-27)36-30(39)22-35-44(42,43)28-7-6-24-4-2-3-5-26(24)20-28/h2-9,14-15,20,23,25,29,35H,10-13,16-19,21-22H2,1H3,(H,34,40)(H,36,39)