N-[3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-5-(4-methylpyridin-2-yl)thiophene-2-carboxamide

Systemtic Name: N-[3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-5-(4-methylpyridin-2-yl)thiophene-2-carboxamide Openeye Name: N-[1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-5-(4-methyl-2-pyridyl)thiophene-2-carboxamide CAS Name: N-[3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-5-(4-methyl-2-pyridinyl)-2-thiophenecarboxamide IUPAC Name: N-[3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-5-(4-methylpyridin-2-yl)thiophene-2-carboxamide Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-5-(4-methyl-2-pyridyl)thiophene-2-carboxamide Formula: C31H37N5O5S2 MolecularWeight: 623.78598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C2=CC=C(S2)C(=O)NC(CC3CCCCC3)C(=O)NC4CCCN(CC4=O)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CC1=CC(=NC=C1)C2=CC=C(S2)C(=O)NC(CC3CCCCC3)C(=O)N[C@H]4CCCN(CC4=O)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C31H37N5O5S2/c1-21-14-16-32-24(18-21)27-12-13-28(42-27)31(39)35-25(19-22-8-3-2-4-9-22)30(38)34-23-10-7-17-36(20-26(23)37)43(40,41)29-11-5-6-15-33-29/h5-6,11-16,18,22-23,25H,2-4,7-10,17,19-20H2,1H3,(H,34,38)(H,35,39)/t23-,25?/m0/s1