1-[6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 1-[6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-5-bromanyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 1-[6-[[4-(azepan-1-ylmethyl)-1-piperidyl]sulfonyl]-5-bromo-indolin-1-yl]ethanone CAS Name: 1-[6-[[4-(1-azepanylmethyl)-1-piperidinyl]sulfonyl]-5-bromo-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 1-[6-[4-(azepan-1-ylmethyl)piperidin-1-yl]sulfonyl-5-bromo-2,3-dihydroindol-1-yl]ethanone Traditional Name: 1-[6-[4-(azepan-1-ylmethyl)piperidino]sulfonyl-5-bromo-indolin-1-yl]ethanone Formula: C22H32BrN3O3S MolecularWeight: 498.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCC(CC3)CN4CCCCCC4)Br

Isomeric SMILES

CC(=O)N1CCC2=CC(=C(C=C21)S(=O)(=O)N3CCC(CC3)CN4CCCCCC4)Br

InChI

InChI=1S/C22H32BrN3O3S/c1-17(27)26-13-8-19-14-20(23)22(15-21(19)26)30(28,29)25-11-6-18(7-12-25)16-24-9-4-2-3-5-10-24/h14-15,18H,2-13,16H2,1H3