N-[1-azanyl-2-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-butan-2-yl]-1-(2-azanylpyrimidin-4-yl)piperidine-4-carboxamide

Systemtic Name: N-[1-azanyl-2-(naphthalen-2-ylsulfonylamino)-1-oxidanylidene-butan-2-yl]-1-(2-azanylpyrimidin-4-yl)piperidine-4-carboxamide Openeye Name: 1-(2-aminopyrimidin-4-yl)-N-[1-carbamoyl-1-(2-naphthylsulfonylamino)propyl]piperidine-4-carboxamide CAS Name: N-[1-amino-2-(2-naphthalenylsulfonylamino)-1-oxobutan-2-yl]-1-(2-amino-4-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: N-[1-amino-2-(naphthalen-2-ylsulfonylamino)-1-oxobutan-2-yl]-1-(2-aminopyrimidin-4-yl)piperidine-4-carboxamide Traditional Name: 1-(2-aminopyrimidin-4-yl)-N-[1-carbamoyl-1-(2-naphthylsulfonylamino)propyl]isonipecotamide Formula: C24H29N7O4S MolecularWeight: 511.59656

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)(NC(=O)C1CCN(CC1)C2=NC(=NC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC(C(=O)N)(NC(=O)C1CCN(CC1)C2=NC(=NC=C2)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H29N7O4S/c1-2-24(22(25)33,30-36(34,35)19-8-7-16-5-3-4-6-18(16)15-19)29-21(32)17-10-13-31(14-11-17)20-9-12-27-23(26)28-20/h3-9,12,15,17,30H,2,10-11,13-14H2,1H3,(H2,25,33)(H,29,32)(H2,26,27,28)