N-[2-(azepan-1-yl)ethyl]-3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-3-[(5-bromanyl-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-3-(5-bromo-1-propanoyl-indolin-7-yl)sulfonyl-propanamide CAS Name: N-[2-(1-azepanyl)ethyl]-3-[[5-bromo-1-(1-oxopropyl)-2,3-dihydroindol-7-yl]sulfonyl]propanamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]propanamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-3-(5-bromo-1-propionyl-indolin-7-yl)sulfonyl-propionamide Formula: C22H32BrN3O4S MolecularWeight: 514.47618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCCN3CCCCCC3)Br

Isomeric SMILES

CCC(=O)N1CCC2=CC(=CC(=C21)S(=O)(=O)CCC(=O)NCCN3CCCCCC3)Br

InChI

InChI=1S/C22H32BrN3O4S/c1-2-21(28)26-12-7-17-15-18(23)16-19(22(17)26)31(29,30)14-8-20(27)24-9-13-25-10-5-3-4-6-11-25/h15-16H,2-14H2,1H3,(H,24,27)