N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1-ethanoyl-2,3-dihydroindole-5-sulfonamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1-ethanoyl-2,3-dihydroindole-5-sulfonamide Openeye Name: 1-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]indoline-5-sulfonamide CAS Name: 1-acetyl-N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2,3-dihydroindole-5-sulfonamide IUPAC Name: 1-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2,3-dihydroindole-5-sulfonamide Traditional Name: 1-acetyl-N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]indoline-5-sulfonamide Formula: C22H29N5O4S MolecularWeight: 459.56176

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)NCCOC3=NC=NC(=C3)N4CCCCCC4

InChI

InChI=1S/C22H29N5O4S/c1-17(28)27-12-8-18-14-19(6-7-20(18)27)32(29,30)25-9-13-31-22-15-21(23-16-24-22)26-10-4-2-3-5-11-26/h6-7,14-16,25H,2-5,8-13H2,1H3