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

Systemtic Name: N-[3-(methylamino)-2-[2-(naphthalen-2-ylsulfonylamino)ethanoylamino]-3-oxidanylidene-propyl]-1-pyridin-4-yl-piperidine-4-carboxamide Openeye Name: N-[3-(methylamino)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]-3-oxo-propyl]-1-(4-pyridyl)piperidine-4-carboxamide CAS Name: N-[3-(methylamino)-2-[[2-(2-naphthalenylsulfonylamino)-1-oxoethyl]amino]-3-oxopropyl]-1-pyridin-4-yl-4-piperidinecarboxamide IUPAC Name: N-[3-(methylamino)-2-[[2-(naphthalen-2-ylsulfonylamino)acetyl]amino]-3-oxopropyl]-1-pyridin-4-ylpiperidine-4-carboxamide Traditional Name: N-[3-keto-3-(methylamino)-2-[[2-(2-naphthylsulfonylamino)acetyl]amino]propyl]-1-(4-pyridyl)isonipecotamide Formula: C27H32N6O5S MolecularWeight: 552.64518

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CNC(=O)C(CNC(=O)C1CCN(CC1)C2=CC=NC=C2)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H32N6O5S/c1-28-27(36)24(17-30-26(35)20-10-14-33(15-11-20)22-8-12-29-13-9-22)32-25(34)18-31-39(37,38)23-7-6-19-4-2-3-5-21(19)16-23/h2-9,12-13,16,20,24,31H,10-11,14-15,17-18H2,1H3,(H,28,36)(H,30,35)(H,32,34)