(2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-yl-propanamide

Systemtic Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-yl-propanamide Openeye Name: (2S)-2-(benzofuran-5-ylsulfonylamino)-N,N-diisobutyl-3-(3-pyridyl)propanamide CAS Name: (2S)-2-(5-benzofuranylsulfonylamino)-N,N-bis(2-methylpropyl)-3-(3-pyridinyl)propanamide IUPAC Name: (2S)-2-(1-benzofuran-5-ylsulfonylamino)-N,N-bis(2-methylpropyl)-3-pyridin-3-ylpropanamide Traditional Name: (2S)-2-(benzofuran-5-ylsulfonylamino)-N,N-diisobutyl-3-(3-pyridyl)propionamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C(=O)C(CC1=CN=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3

Isomeric SMILES

CC(C)CN(CC(C)C)C(=O)[C@H](CC1=CN=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OC=C3

InChI

InChI=1S/C24H31N3O4S/c1-17(2)15-27(16-18(3)4)24(28)22(12-19-6-5-10-25-14-19)26-32(29,30)21-7-8-23-20(13-21)9-11-31-23/h5-11,13-14,17-18,22,26H,12,15-16H2,1-4H3/t22-/m0/s1