N-[(3S)-1-[3-(4-azanylcyclohexyl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[(3S)-1-[3-(4-azanylcyclohexyl)-2-oxidanylidene-propyl]-2-oxidanylidene-azepan-3-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxo-propyl]-2-oxo-azepan-3-yl]-1-phenyl-methanesulfonamide CAS Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxopropyl]-2-oxo-3-azepanyl]-1-phenylmethanesulfonamide IUPAC Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-oxopropyl]-2-oxoazepan-3-yl]-1-phenylmethanesulfonamide Traditional Name: N-[(3S)-1-[3-(4-aminocyclohexyl)-2-keto-propyl]-2-keto-azepan-3-yl]-1-phenyl-methanesulfonamide Formula: C22H33N3O4S MolecularWeight: 435.58012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)CC3CCC(CC3)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)CC3CCC(CC3)N

InChI

InChI=1S/C22H33N3O4S/c23-19-11-9-17(10-12-19)14-20(26)15-25-13-5-4-8-21(22(25)27)24-30(28,29)16-18-6-2-1-3-7-18/h1-3,6-7,17,19,21,24H,4-5,8-16,23H2/t17?,19?,21-/m0/s1