N-[(3S)-1-[3-(4-azanylcyclohexyl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

Systemtic Name: N-[(3S)-1-[3-(4-azanylcyclohexyl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxo-propyl]-2-oxo-azepan-3-yl]-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxopropyl]-2-oxo-3-azepanyl]-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxopropyl]-2-oxoazepan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-keto-propyl]-2-keto-azepan-3-yl]coumaran-5-sulfonamide Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)CC(=O)CC4CCC(CC4)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)CC(=O)CC4CCC(CC4)N

InChI

InChI=1S/C23H33N3O5S/c24-18-6-4-16(5-7-18)13-19(27)15-26-11-2-1-3-21(23(26)28)25-32(29,30)20-8-9-22-17(14-20)10-12-31-22/h8-9,14,16,18,21,25H,1-7,10-13,15,24H2/t16?,18?,21-/m0/s1