N-[(3S)-1-[3-(6-azanyl-2-methyl-pyridin-3-yl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

Systemtic Name: N-[(3S)-1-[3-(6-azanyl-2-methyl-pyridin-3-yl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridyl)-2-oxo-propyl]-2-oxo-azepan-3-yl]-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridinyl)-2-oxopropyl]-2-oxo-3-azepanyl]-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-[(3S)-1-[3-(6-amino-2-methylpyridin-3-yl)-2-oxopropyl]-2-oxoazepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-[(3S)-1-[3-(6-amino-2-methyl-3-pyridyl)-2-keto-propyl]-2-keto-azepan-3-yl]coumaran-5-sulfonamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)N)CC(=O)CN2CCCCC(C2=O)NS(=O)(=O)C3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=C(C=CC(=N1)N)CC(=O)CN2CCCC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C23H28N4O5S/c1-15-16(5-8-22(24)25-15)12-18(28)14-27-10-3-2-4-20(23(27)29)26-33(30,31)19-6-7-21-17(13-19)9-11-32-21/h5-8,13,20,26H,2-4,9-12,14H2,1H3,(H2,24,25)/t20-/m0/s1