N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-methyl-pyrazole-3-carboxamide Formula: C25H34N6O5S MolecularWeight: 530.63966

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)NC(CC2CCCCC2)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C(=CC=N1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H34N6O5S/c1-30-21(12-14-27-30)25(34)29-20(16-18-8-3-2-4-9-18)24(33)28-19-10-7-15-31(17-22(19)32)37(35,36)23-11-5-6-13-26-23/h5-6,11-14,18-20H,2-4,7-10,15-17H2,1H3,(H,28,33)(H,29,34)/t19-,20-/m0/s1