1-(2-azanylpyrimidin-4-yl)-N-[2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-azanylpyrimidin-4-yl)-N-[2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-aminopyrimidin-4-yl)-N-[2-[[2-(2-naphthylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide CAS Name: 1-(2-amino-4-pyrimidinyl)-N-[2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-aminopyrimidin-4-yl)-N-[2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-aminopyrimidin-4-yl)-N-[2-[[2-(2-naphthylsulfonylamino)acetyl]amino]ethyl]isonipecotamide Formula: C24H29N7O4S MolecularWeight: 511.59656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCNC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NC=C4)N

Isomeric SMILES

C1CN(CCC1C(=O)NCCNC(=O)CNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C4=NC(=NC=C4)N

InChI

InChI=1S/C24H29N7O4S/c25-24-28-10-7-21(30-24)31-13-8-18(9-14-31)23(33)27-12-11-26-22(32)16-29-36(34,35)20-6-5-17-3-1-2-4-19(17)15-20/h1-7,10,15,18,29H,8-9,11-14,16H2,(H,26,32)(H,27,33)(H2,25,28,30)